N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine

C18H31N — CID 88928156

IUPACN,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
SMILESC=C(C=C(C)C)N(C)CC1CC1(C)CCC=C(C)C
InChIInChI=1S/C18H31N/c1-14(2)9-8-10-18(6)12-17(18)13-19(7)16(5)11-15(3)4/h9,11,17H,5,8,10,12-13H2,1-4,6-7H3
InChIKeyCEGGSWATKSFEPP-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.17
Rot. Bonds7

About N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine

N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine (PubChem CID 88928156) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
PubChem CID88928156
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
SMILESC=C(C=C(C)C)N(C)CC1CC1(C)CCC=C(C)C
InChIInChI=1S/C18H31N/c1-14(2)9-8-10-18(6)12-17(18)13-19(7)16(5)11-15(3)4/h9,11,17H,5,8,10,12-13H2,1-4,6-7H3
InChIKeyCEGGSWATKSFEPP-UHFFFAOYSA-N
XLogP5.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
The IUPAC name of N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine (CID 88928156) is N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine.
What is the SMILES notation for N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
The canonical SMILES for N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine is C=C(C=C(C)C)N(C)CC1CC1(C)CCC=C(C)C.
What is the InChIKey of N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
The InChIKey is CEGGSWATKSFEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-14(2)9-8-10-18(6)12-17(18)13-19(7)16(5)11-15(3)4/h9,11,17H,5,8,10,12-13H2,1-4,6-7H3.
What are the key properties of N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine has a molecular weight of 261.45 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine is sourced from PubChem (CID 88928156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).