N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine

C30H55N — CID 123334902

IUPACN-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine
SMILESC=CCC(C=C)C(C)(C(C)C)N(CCCC(C)=C(CC)C(C)C(C)(C)C)C(C)C=CC
InChIInChI=1S/C30H55N/c1-14-19-25(8)31(30(13,23(5)6)27(16-3)20-15-2)22-18-21-24(7)28(17-4)26(9)29(10,11)12/h14-16,19,23,25-27H,2-3,17-18,20-22H2,1,4-13H3
InChIKeyGFYRVFXLJWFHSC-UHFFFAOYSA-N
MW429.78 g/mol
LogP9.23
Rot. Bonds14

About N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine

N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine (PubChem CID 123334902) has the molecular formula C30H55N and a molecular weight of 429.78 g/mol. Its IUPAC name is N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine.

Molecular Properties

Compound NameN-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine
PubChem CID123334902
Molecular FormulaC30H55N
Molecular Weight429.78 g/mol
Exact Mass429.43
IUPAC NameN-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine
SMILESC=CCC(C=C)C(C)(C(C)C)N(CCCC(C)=C(CC)C(C)C(C)(C)C)C(C)C=CC
InChIInChI=1S/C30H55N/c1-14-19-25(8)31(30(13,23(5)6)27(16-3)20-15-2)22-18-21-24(7)28(17-4)26(9)29(10,11)12/h14-16,19,23,25-27H,2-3,17-18,20-22H2,1,4-13H3
InChIKeyGFYRVFXLJWFHSC-UHFFFAOYSA-N
XLogP9.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.78
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

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CID 177061057
N,N-bis(2-ethylhexyl)cyclohex-2-en-1-amine
CID 258792
(1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine
CID 10420497
(E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine
CID 11011888
(E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine
CID 19839202
1-methyl-1-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]pyrrolidin-1-ium iodide
CID 21502446
1-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]pyrrolidine
CID 21502448
1-Methyl-1-[1-methyl-3-(2,6,6-trimethyl-2-cyclohexenyl)-2(trans)-propenyl]piperidinium iodide
CID 21502460
ethyl-dimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide
CID 21502471
dimethyl-prop-2-enyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide
CID 21502491
dimethyl-propyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide
CID 21502501
heptyl-dimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide
CID 21502505

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine?
The IUPAC name of N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine (CID 123334902) is N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine.
What is the SMILES notation for N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine?
The canonical SMILES for N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine is C=CCC(C=C)C(C)(C(C)C)N(CCCC(C)=C(CC)C(C)C(C)(C)C)C(C)C=CC.
What is the InChIKey of N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine?
The InChIKey is GFYRVFXLJWFHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55N/c1-14-19-25(8)31(30(13,23(5)6)27(16-3)20-15-2)22-18-21-24(7)28(17-4)26(9)29(10,11)12/h14-16,19,23,25-27H,2-3,17-18,20-22H2,1,4-13H3.
What are the key properties of N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine?
N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine has a molecular weight of 429.78 g/mol, XLogP of 9.23, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-2,3-dimethylhept-6-en-3-yl)-5-ethyl-4,6,7,7-tetramethyl-N-pent-3-en-2-yloct-4-en-1-amine is sourced from PubChem (CID 123334902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).