N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine

C14H29N — CID 129066441

IUPACN,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine
SMILESC=CCC(C)CC(C)N(C)C(C)CCC
InChIInChI=1S/C14H29N/c1-7-9-12(3)11-14(5)15(6)13(4)10-8-2/h7,12-14H,1,8-11H2,2-6H3
InChIKeyGZQNPHXUQPLQFR-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.10
Rot. Bonds8

About N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine

N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine (PubChem CID 129066441) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine
PubChem CID129066441
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine
SMILESC=CCC(C)CC(C)N(C)C(C)CCC
InChIInChI=1S/C14H29N/c1-7-9-12(3)11-14(5)15(6)13(4)10-8-2/h7,12-14H,1,8-11H2,2-6H3
InChIKeyGZQNPHXUQPLQFR-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.10
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

4,6-dimethyldodec-1-ene
CID 170848376
4,6,7,10-tetramethyltridec-1-ene
CID 123527597
but-1-ene;N,N-dimethylpentan-2-amine;ethane
CID 145343513
(5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine
CID 163911487
N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine
CID 177053688
4,6,10-trimethyldodec-1-ene
CID 123808397
N-ethyl-N,2-dimethylpent-4-en-1-amine
CID 139352372
N-methyl-N-(3-methylbutan-2-yl)pentan-2-amine
CID 90729081
sodium;hydride;4-methylhex-1-ene
CID 173048656
methanol;(2S)-2-methylpent-4-en-1-ol
CID 143099829
2,4-dimethylhept-6-enal
CID 14532516
ethane;5-methyloct-1-en-4-ol
CID 142059047

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine?
The IUPAC name of N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine (CID 129066441) is N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine.
What is the SMILES notation for N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine?
The canonical SMILES for N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine is C=CCC(C)CC(C)N(C)C(C)CCC.
What is the InChIKey of N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine?
The InChIKey is GZQNPHXUQPLQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-7-9-12(3)11-14(5)15(6)13(4)10-8-2/h7,12-14H,1,8-11H2,2-6H3.
What are the key properties of N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine?
N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine has a molecular weight of 211.39 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine is sourced from PubChem (CID 129066441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).