N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine

C12H25N — CID 89261390

IUPACN-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine
SMILESC=CN(C(CC)CC)[C@@H](C)C(C)C
InChIInChI=1S/C12H25N/c1-7-12(8-2)13(9-3)11(6)10(4)5/h9-12H,3,7-8H2,1-2,4-6H3/t11-/m0/s1
InChIKeyWPOPKUPUJPHXEF-NSHDSACASA-N
MW183.34 g/mol
LogP3.66
Rot. Bonds6

About N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine

N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine (PubChem CID 89261390) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine.

Molecular Properties

Compound NameN-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine
PubChem CID89261390
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine
SMILESC=CN(C(CC)CC)[C@@H](C)C(C)C
InChIInChI=1S/C12H25N/c1-7-12(8-2)13(9-3)11(6)10(4)5/h9-12H,3,7-8H2,1-2,4-6H3/t11-/m0/s1
InChIKeyWPOPKUPUJPHXEF-NSHDSACASA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine?
The IUPAC name of N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine (CID 89261390) is N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine.
What is the SMILES notation for N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine?
The canonical SMILES for N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine is C=CN(C(CC)CC)[C@@H](C)C(C)C.
What is the InChIKey of N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine?
The InChIKey is WPOPKUPUJPHXEF-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N/c1-7-12(8-2)13(9-3)11(6)10(4)5/h9-12H,3,7-8H2,1-2,4-6H3/t11-/m0/s1.
What are the key properties of N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine?
N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine has a molecular weight of 183.34 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine is sourced from PubChem (CID 89261390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).