N-butyl-3-methylpent-1-en-2-amine

C10H21N — CID 18717521

IUPACN-butyl-3-methylpent-1-en-2-amine
SMILESC=C(NCCCC)C(C)CC
InChIInChI=1S/C10H21N/c1-5-7-8-11-10(4)9(3)6-2/h9,11H,4-8H2,1-3H3
InChIKeyNDVPWRJDEVBDLT-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.94
Rot. Bonds6

About N-butyl-3-methylpent-1-en-2-amine

N-butyl-3-methylpent-1-en-2-amine (PubChem CID 18717521) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-butyl-3-methylpent-1-en-2-amine.

Molecular Properties

Compound NameN-butyl-3-methylpent-1-en-2-amine
PubChem CID18717521
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-butyl-3-methylpent-1-en-2-amine
SMILESC=C(NCCCC)C(C)CC
InChIInChI=1S/C10H21N/c1-5-7-8-11-10(4)9(3)6-2/h9,11H,4-8H2,1-3H3
InChIKeyNDVPWRJDEVBDLT-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.94
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-3-methylpent-1-en-2-amine?
The IUPAC name of N-butyl-3-methylpent-1-en-2-amine (CID 18717521) is N-butyl-3-methylpent-1-en-2-amine.
What is the SMILES notation for N-butyl-3-methylpent-1-en-2-amine?
The canonical SMILES for N-butyl-3-methylpent-1-en-2-amine is C=C(NCCCC)C(C)CC.
What is the InChIKey of N-butyl-3-methylpent-1-en-2-amine?
The InChIKey is NDVPWRJDEVBDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-7-8-11-10(4)9(3)6-2/h9,11H,4-8H2,1-3H3.
What are the key properties of N-butyl-3-methylpent-1-en-2-amine?
N-butyl-3-methylpent-1-en-2-amine has a molecular weight of 155.28 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methylpent-1-en-2-amine is sourced from PubChem (CID 18717521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).