2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine

C11H23N — CID 129154963

IUPAC2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine
SMILESC=C(NCC(C)CCC)C(C)C
InChIInChI=1S/C11H23N/c1-6-7-10(4)8-12-11(5)9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyPQLNAKJRVWYPKJ-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.18
Rot. Bonds6

About 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine

2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine (PubChem CID 129154963) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine
PubChem CID129154963
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine
SMILESC=C(NCC(C)CCC)C(C)C
InChIInChI=1S/C11H23N/c1-6-7-10(4)8-12-11(5)9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyPQLNAKJRVWYPKJ-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine?
The IUPAC name of 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine (CID 129154963) is 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine is C=C(NCC(C)CCC)C(C)C.
What is the InChIKey of 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine?
The InChIKey is PQLNAKJRVWYPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-7-10(4)8-12-11(5)9(2)3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine?
2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine is sourced from PubChem (CID 129154963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).