N-but-1-en-2-yl-4-methylpentan-1-amine

C10H21N — CID 129015397

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

About N-but-1-en-2-yl-4-methylpentan-1-amine

N-but-1-en-2-yl-4-methylpentan-1-amine (PubChem CID 129015397) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-but-1-en-2-yl-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-4-methylpentan-1-amine
PubChem CID129015397
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-but-1-en-2-yl-4-methylpentan-1-amine
SMILESC=C(CC)NCCCC(C)C
InChIInChI=1S/C10H21N/c1-5-10(4)11-8-6-7-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyOFSSVLNCIJDAEH-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-but-1-en-2-yl-4-methylpentan-1-amine?
The IUPAC name of N-but-1-en-2-yl-4-methylpentan-1-amine (CID 129015397) is N-but-1-en-2-yl-4-methylpentan-1-amine.
What is the SMILES notation for N-but-1-en-2-yl-4-methylpentan-1-amine?
The canonical SMILES for N-but-1-en-2-yl-4-methylpentan-1-amine is C=C(CC)NCCCC(C)C.
What is the InChIKey of N-but-1-en-2-yl-4-methylpentan-1-amine?
The InChIKey is OFSSVLNCIJDAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-10(4)11-8-6-7-9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of N-but-1-en-2-yl-4-methylpentan-1-amine?
N-but-1-en-2-yl-4-methylpentan-1-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-but-1-en-2-yl-4-methylpentan-1-amine is sourced from PubChem (CID 129015397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).