N,N-dibutyl-3-methylpent-1-en-2-amine

C14H29N — CID 18721539

IUPACN,N-dibutyl-3-methylpent-1-en-2-amine
SMILESC=C(C(C)CC)N(CCCC)CCCC
InChIInChI=1S/C14H29N/c1-6-9-11-15(12-10-7-2)14(5)13(4)8-3/h13H,5-12H2,1-4H3
InChIKeyKHZJJCGXYDATOR-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.45
Rot. Bonds9

About N,N-dibutyl-3-methylpent-1-en-2-amine

N,N-dibutyl-3-methylpent-1-en-2-amine (PubChem CID 18721539) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N,N-dibutyl-3-methylpent-1-en-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-3-methylpent-1-en-2-amine
PubChem CID18721539
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN,N-dibutyl-3-methylpent-1-en-2-amine
SMILESC=C(C(C)CC)N(CCCC)CCCC
InChIInChI=1S/C14H29N/c1-6-9-11-15(12-10-7-2)14(5)13(4)8-3/h13H,5-12H2,1-4H3
InChIKeyKHZJJCGXYDATOR-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-methylpent-1-en-2-amine?
The IUPAC name of N,N-dibutyl-3-methylpent-1-en-2-amine (CID 18721539) is N,N-dibutyl-3-methylpent-1-en-2-amine.
What is the SMILES notation for N,N-dibutyl-3-methylpent-1-en-2-amine?
The canonical SMILES for N,N-dibutyl-3-methylpent-1-en-2-amine is C=C(C(C)CC)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-3-methylpent-1-en-2-amine?
The InChIKey is KHZJJCGXYDATOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-9-11-15(12-10-7-2)14(5)13(4)8-3/h13H,5-12H2,1-4H3.
What are the key properties of N,N-dibutyl-3-methylpent-1-en-2-amine?
N,N-dibutyl-3-methylpent-1-en-2-amine has a molecular weight of 211.39 g/mol, XLogP of 4.45, 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-1-en-2-amine is sourced from PubChem (CID 18721539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).