N,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine

C16H31N — CID 166842496

IUPACN,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine
SMILESC=C(CCCCC(C)C)N(C)C/C=C/C(C)C
InChIInChI=1S/C16H31N/c1-14(2)10-7-8-12-16(5)17(6)13-9-11-15(3)4/h9,11,14-15H,5,7-8,10,12-13H2,1-4,6H3/b11-9+
InChIKeyIWFFMWUCEWPNCA-PKNBQFBNSA-N
MW237.43 g/mol
LogP4.86
Rot. Bonds9

About N,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine

N,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine (PubChem CID 166842496) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine.

Molecular Properties

Compound NameN,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine
PubChem CID166842496
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine
SMILESC=C(CCCCC(C)C)N(C)C/C=C/C(C)C
InChIInChI=1S/C16H31N/c1-14(2)10-7-8-12-16(5)17(6)13-9-11-15(3)4/h9,11,14-15H,5,7-8,10,12-13H2,1-4,6H3/b11-9+
InChIKeyIWFFMWUCEWPNCA-PKNBQFBNSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 176630983
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CID 176630936
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CID 167099818
N-ethyl-N,5-dimethylhex-1-en-2-amine
CID 89100834
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CID 144855567
N,2,3,5-tetramethyl-N-(5-methylhex-1-en-2-yl)hexan-1-amine
CID 155456039
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene
CID 142155642
N,9-dimethyl-N-propan-2-yldecanamide
CID 170241261
N,8-dimethyl-N-propan-2-ylnonanamide
CID 170241265
3-ethyl-8-methylnon-2-ene
CID 91177846
16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene
CID 18517299

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine?
The IUPAC name of N,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine (CID 166842496) is N,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine.
What is the SMILES notation for N,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine?
The canonical SMILES for N,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine is C=C(CCCCC(C)C)N(C)C/C=C/C(C)C.
What is the InChIKey of N,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine?
The InChIKey is IWFFMWUCEWPNCA-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H31N/c1-14(2)10-7-8-12-16(5)17(6)13-9-11-15(3)4/h9,11,14-15H,5,7-8,10,12-13H2,1-4,6H3/b11-9+.
What are the key properties of N,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine?
N,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.86, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-N-[(E)-4-methylpent-2-enyl]oct-1-en-2-amine is sourced from PubChem (CID 166842496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).