2-methyl-N-pent-1-en-2-ylhexan-2-amine

C12H25N — CID 126713915

IUPAC2-methyl-N-pent-1-en-2-ylhexan-2-amine
SMILESC=C(CCC)NC(C)(C)CCCC
InChIInChI=1S/C12H25N/c1-6-8-10-12(4,5)13-11(3)9-7-2/h13H,3,6-10H2,1-2,4-5H3
InChIKeyYAFSISTVOLJBMT-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.86
Rot. Bonds7

About 2-methyl-N-pent-1-en-2-ylhexan-2-amine

2-methyl-N-pent-1-en-2-ylhexan-2-amine (PubChem CID 126713915) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-methyl-N-pent-1-en-2-ylhexan-2-amine.

Molecular Properties

Compound Name2-methyl-N-pent-1-en-2-ylhexan-2-amine
PubChem CID126713915
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-methyl-N-pent-1-en-2-ylhexan-2-amine
SMILESC=C(CCC)NC(C)(C)CCCC
InChIInChI=1S/C12H25N/c1-6-8-10-12(4,5)13-11(3)9-7-2/h13H,3,6-10H2,1-2,4-5H3
InChIKeyYAFSISTVOLJBMT-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pent-1-en-2-ylhexan-2-amine?
The IUPAC name of 2-methyl-N-pent-1-en-2-ylhexan-2-amine (CID 126713915) is 2-methyl-N-pent-1-en-2-ylhexan-2-amine.
What is the SMILES notation for 2-methyl-N-pent-1-en-2-ylhexan-2-amine?
The canonical SMILES for 2-methyl-N-pent-1-en-2-ylhexan-2-amine is C=C(CCC)NC(C)(C)CCCC.
What is the InChIKey of 2-methyl-N-pent-1-en-2-ylhexan-2-amine?
The InChIKey is YAFSISTVOLJBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-8-10-12(4,5)13-11(3)9-7-2/h13H,3,6-10H2,1-2,4-5H3.
What are the key properties of 2-methyl-N-pent-1-en-2-ylhexan-2-amine?
2-methyl-N-pent-1-en-2-ylhexan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pent-1-en-2-ylhexan-2-amine is sourced from PubChem (CID 126713915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).