N,N-dibutyl-3-methylpent-3-en-1-amine

C14H29N — CID 141366893

IUPACN,N-dibutyl-3-methylpent-3-en-1-amine
SMILESCC=C(C)CCN(CCCC)CCCC
InChIInChI=1S/C14H29N/c1-5-8-11-15(12-9-6-2)13-10-14(4)7-3/h7H,5-6,8-13H2,1-4H3
InChIKeyQLBZZIXZOSYMHS-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.24
Rot. Bonds9

About N,N-dibutyl-3-methylpent-3-en-1-amine

N,N-dibutyl-3-methylpent-3-en-1-amine (PubChem CID 141366893) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N,N-dibutyl-3-methylpent-3-en-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-3-methylpent-3-en-1-amine
PubChem CID141366893
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN,N-dibutyl-3-methylpent-3-en-1-amine
SMILESCC=C(C)CCN(CCCC)CCCC
InChIInChI=1S/C14H29N/c1-5-8-11-15(12-9-6-2)13-10-14(4)7-3/h7H,5-6,8-13H2,1-4H3
InChIKeyQLBZZIXZOSYMHS-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.24
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

2,6-Octadien-1-amine, N,N-diethyl-3,7-dimethyl-, (2E)-
CID 6390621
n,n-Diethyl-3.7-dimethyl-2.6-octadiene-1-amine
CID 324495
4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 21345321
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
Pyridine, 1,2,3,6-tetrahydro-1,4-dimethyl-
CID 11389372
4-Hexenylamine, N-ethyl-N,1,5-trimethyl-
CID 57940
N,N-Diethylazasqualene
CID 6439792
(Z)-N,N-Diethyl-3,7-dimethylocta-2,6-dien-1-amine
CID 6243343
Pyridine, 1,2,3,6-tetrahydro-1,5-dimethyl-
CID 12227310
Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765
N,N-dimethylamino-4-methyl-pentene-3
CID 12545385
1-(3,7-Dimethylocta-2,6-dienyl)pyrrolidine
CID 72951919

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-methylpent-3-en-1-amine?
The IUPAC name of N,N-dibutyl-3-methylpent-3-en-1-amine (CID 141366893) is N,N-dibutyl-3-methylpent-3-en-1-amine.
What is the SMILES notation for N,N-dibutyl-3-methylpent-3-en-1-amine?
The canonical SMILES for N,N-dibutyl-3-methylpent-3-en-1-amine is CC=C(C)CCN(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-3-methylpent-3-en-1-amine?
The InChIKey is QLBZZIXZOSYMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-8-11-15(12-9-6-2)13-10-14(4)7-3/h7H,5-6,8-13H2,1-4H3.
What are the key properties of N,N-dibutyl-3-methylpent-3-en-1-amine?
N,N-dibutyl-3-methylpent-3-en-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-methylpent-3-en-1-amine is sourced from PubChem (CID 141366893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).