N,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine

C15H31N — CID 123342699

IUPACN,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine
SMILESCC=C(C)C(C)C(CC)N(C)C(C)CCC
InChIInChI=1S/C15H31N/c1-8-11-13(5)16(7)15(10-3)14(6)12(4)9-2/h9,13-15H,8,10-11H2,1-7H3
InChIKeySKSIDOKLBOAKMC-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.49
Rot. Bonds7

About N,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine

N,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine (PubChem CID 123342699) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine.

Molecular Properties

Compound NameN,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine
PubChem CID123342699
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine
SMILESCC=C(C)C(C)C(CC)N(C)C(C)CCC
InChIInChI=1S/C15H31N/c1-8-11-13(5)16(7)15(10-3)14(6)12(4)9-2/h9,13-15H,8,10-11H2,1-7H3
InChIKeySKSIDOKLBOAKMC-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[butan-2-yl(methyl)amino]butan-1-ol
CID 88539687
(5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine
CID 163911487
N-methyl-N-(3-methylbutan-2-yl)pentan-2-amine
CID 90729081
2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid
CID 79407225
5-butyl-3,4-dimethyldec-2-ene
CID 123501765
(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
CID 103934964
2-but-2-en-2-yloxybutane
CID 54492212
1-N,4-N-dimethyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 62432184
3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid
CID 43572314
N,2-dimethyl-N-(2-methylpentan-3-yl)pentan-3-amine
CID 134315332
N,N-dihydroxypentan-2-amine
CID 87329779
3-[methyl(propan-2-yl)amino]hexan-2-ol
CID 89003622

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine?
The IUPAC name of N,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine (CID 123342699) is N,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine.
What is the SMILES notation for N,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine?
The canonical SMILES for N,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine is CC=C(C)C(C)C(CC)N(C)C(C)CCC.
What is the InChIKey of N,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine?
The InChIKey is SKSIDOKLBOAKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-8-11-13(5)16(7)15(10-3)14(6)12(4)9-2/h9,13-15H,8,10-11H2,1-7H3.
What are the key properties of N,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine?
N,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine has a molecular weight of 225.42 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-N-pentan-2-ylhept-5-en-3-amine is sourced from PubChem (CID 123342699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).