(2R)-N-butyl-6-methylhept-5-en-2-amine

C12H25N — CID 121451100

IUPAC(2R)-N-butyl-6-methylhept-5-en-2-amine
SMILESCCCCN[C@H](C)CCC=C(C)C
InChIInChI=1S/C12H25N/c1-5-6-10-13-12(4)9-7-8-11(2)3/h8,12-13H,5-7,9-10H2,1-4H3/t12-/m1/s1
InChIKeyCBYAHCCBHLCJAV-GFCCVEGCSA-N
MW183.34 g/mol
LogP3.51
Rot. Bonds7

About (2R)-N-butyl-6-methylhept-5-en-2-amine

(2R)-N-butyl-6-methylhept-5-en-2-amine (PubChem CID 121451100) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (2R)-N-butyl-6-methylhept-5-en-2-amine.

Molecular Properties

Compound Name(2R)-N-butyl-6-methylhept-5-en-2-amine
PubChem CID121451100
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(2R)-N-butyl-6-methylhept-5-en-2-amine
SMILESCCCCN[C@H](C)CCC=C(C)C
InChIInChI=1S/C12H25N/c1-5-6-10-13-12(4)9-7-8-11(2)3/h8,12-13H,5-7,9-10H2,1-4H3/t12-/m1/s1
InChIKeyCBYAHCCBHLCJAV-GFCCVEGCSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-6-methylhept-5-en-2-amine?
The IUPAC name of (2R)-N-butyl-6-methylhept-5-en-2-amine (CID 121451100) is (2R)-N-butyl-6-methylhept-5-en-2-amine.
What is the SMILES notation for (2R)-N-butyl-6-methylhept-5-en-2-amine?
The canonical SMILES for (2R)-N-butyl-6-methylhept-5-en-2-amine is CCCCN[C@H](C)CCC=C(C)C.
What is the InChIKey of (2R)-N-butyl-6-methylhept-5-en-2-amine?
The InChIKey is CBYAHCCBHLCJAV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25N/c1-5-6-10-13-12(4)9-7-8-11(2)3/h8,12-13H,5-7,9-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-N-butyl-6-methylhept-5-en-2-amine?
(2R)-N-butyl-6-methylhept-5-en-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-6-methylhept-5-en-2-amine is sourced from PubChem (CID 121451100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).