N-butyl-5-methylhex-1-en-2-amine

C11H23N — CID 130383423

IUPACN-butyl-5-methylhex-1-en-2-amine
SMILESC=C(CCC(C)C)NCCCC
InChIInChI=1S/C11H23N/c1-5-6-9-12-11(4)8-7-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyYTQAQVAKIVTGKZ-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.33
Rot. Bonds7

About N-butyl-5-methylhex-1-en-2-amine

N-butyl-5-methylhex-1-en-2-amine (PubChem CID 130383423) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-butyl-5-methylhex-1-en-2-amine.

Molecular Properties

Compound NameN-butyl-5-methylhex-1-en-2-amine
PubChem CID130383423
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-butyl-5-methylhex-1-en-2-amine
SMILESC=C(CCC(C)C)NCCCC
InChIInChI=1S/C11H23N/c1-5-6-9-12-11(4)8-7-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyYTQAQVAKIVTGKZ-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methylhex-1-en-2-amine?
The IUPAC name of N-butyl-5-methylhex-1-en-2-amine (CID 130383423) is N-butyl-5-methylhex-1-en-2-amine.
What is the SMILES notation for N-butyl-5-methylhex-1-en-2-amine?
The canonical SMILES for N-butyl-5-methylhex-1-en-2-amine is C=C(CCC(C)C)NCCCC.
What is the InChIKey of N-butyl-5-methylhex-1-en-2-amine?
The InChIKey is YTQAQVAKIVTGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-6-9-12-11(4)8-7-10(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of N-butyl-5-methylhex-1-en-2-amine?
N-butyl-5-methylhex-1-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methylhex-1-en-2-amine is sourced from PubChem (CID 130383423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).