N-butyl-3-methyl-N-propylpent-1-en-2-amine

C13H27N — CID 18717520

IUPACN-butyl-3-methyl-N-propylpent-1-en-2-amine
SMILESC=C(C(C)CC)N(CCC)CCCC
InChIInChI=1S/C13H27N/c1-6-9-11-14(10-7-2)13(5)12(4)8-3/h12H,5-11H2,1-4H3
InChIKeyJSMSSAWAPPQSRJ-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.06
Rot. Bonds8

About N-butyl-3-methyl-N-propylpent-1-en-2-amine

N-butyl-3-methyl-N-propylpent-1-en-2-amine (PubChem CID 18717520) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-butyl-3-methyl-N-propylpent-1-en-2-amine.

Molecular Properties

Compound NameN-butyl-3-methyl-N-propylpent-1-en-2-amine
PubChem CID18717520
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-butyl-3-methyl-N-propylpent-1-en-2-amine
SMILESC=C(C(C)CC)N(CCC)CCCC
InChIInChI=1S/C13H27N/c1-6-9-11-14(10-7-2)13(5)12(4)8-3/h12H,5-11H2,1-4H3
InChIKeyJSMSSAWAPPQSRJ-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methyl-N-propylpent-1-en-2-amine?
The IUPAC name of N-butyl-3-methyl-N-propylpent-1-en-2-amine (CID 18717520) is N-butyl-3-methyl-N-propylpent-1-en-2-amine.
What is the SMILES notation for N-butyl-3-methyl-N-propylpent-1-en-2-amine?
The canonical SMILES for N-butyl-3-methyl-N-propylpent-1-en-2-amine is C=C(C(C)CC)N(CCC)CCCC.
What is the InChIKey of N-butyl-3-methyl-N-propylpent-1-en-2-amine?
The InChIKey is JSMSSAWAPPQSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-9-11-14(10-7-2)13(5)12(4)8-3/h12H,5-11H2,1-4H3.
What are the key properties of N-butyl-3-methyl-N-propylpent-1-en-2-amine?
N-butyl-3-methyl-N-propylpent-1-en-2-amine has a molecular weight of 197.37 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methyl-N-propylpent-1-en-2-amine is sourced from PubChem (CID 18717520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).