N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine

C15H29N — CID 123256934

IUPACN-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine
SMILESC=CC(=C)CC(C(C)CC)N(C)CCCC
InChIInChI=1S/C15H29N/c1-7-10-11-16(6)15(14(5)9-3)12-13(4)8-2/h8,14-15H,2,4,7,9-12H2,1,3,5-6H3
InChIKeyDAZLBVQXMYPAGP-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.27
Rot. Bonds9

About N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine

N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine (PubChem CID 123256934) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine.

Molecular Properties

Compound NameN-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine
PubChem CID123256934
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine
SMILESC=CC(=C)CC(C(C)CC)N(C)CCCC
InChIInChI=1S/C15H29N/c1-7-10-11-16(6)15(14(5)9-3)12-13(4)8-2/h8,14-15H,2,4,7,9-12H2,1,3,5-6H3
InChIKeyDAZLBVQXMYPAGP-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine?
The IUPAC name of N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine (CID 123256934) is N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine.
What is the SMILES notation for N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine?
The canonical SMILES for N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine is C=CC(=C)CC(C(C)CC)N(C)CCCC.
What is the InChIKey of N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine?
The InChIKey is DAZLBVQXMYPAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-7-10-11-16(6)15(14(5)9-3)12-13(4)8-2/h8,14-15H,2,4,7,9-12H2,1,3,5-6H3.
What are the key properties of N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine?
N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine has a molecular weight of 223.40 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,3-dimethyl-6-methylideneoct-7-en-4-amine is sourced from PubChem (CID 123256934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).