5-bromo-N-methyloct-1-en-3-amine

C9H18BrN — CID 123321557

IUPAC5-bromo-N-methyloct-1-en-3-amine
SMILESC=CC(CC(Br)CCC)NC
InChIInChI=1S/C9H18BrN/c1-4-6-8(10)7-9(5-2)11-3/h5,8-9,11H,2,4,6-7H2,1,3H3
InChIKeySLSKOVNDERDPLZ-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.71
Rot. Bonds6

About 5-bromo-N-methyloct-1-en-3-amine

5-bromo-N-methyloct-1-en-3-amine (PubChem CID 123321557) has the molecular formula C9H18BrN and a molecular weight of 220.15 g/mol. Its IUPAC name is 5-bromo-N-methyloct-1-en-3-amine.

Molecular Properties

Compound Name5-bromo-N-methyloct-1-en-3-amine
PubChem CID123321557
Molecular FormulaC9H18BrN
Molecular Weight220.15 g/mol
Exact Mass219.06
IUPAC Name5-bromo-N-methyloct-1-en-3-amine
SMILESC=CC(CC(Br)CCC)NC
InChIInChI=1S/C9H18BrN/c1-4-6-8(10)7-9(5-2)11-3/h5,8-9,11H,2,4,6-7H2,1,3H3
InChIKeySLSKOVNDERDPLZ-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-N-methyloct-1-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methylnon-1-en-3-amine
CID 91313419
(2R)-2-N-methylbut-3-ene-1,2-diamine
CID 139310279
4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal
CID 176958840
N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 105161288
3-bromohexane
CID 18806
N-hex-1-en-3-ylpropanamide
CID 54131480
N-ethenylhept-1-en-3-amine
CID 142241347
3,6,7-tribromodec-1-ene
CID 57159132
(2S)-2-bromopentan-1-ol
CID 101373163
N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
CID 105161117
tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium
CID 175613006
(3R)-N-methyl-5-phenylpent-1-en-3-amine
CID 124509710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyloct-1-en-3-amine?
The IUPAC name of 5-bromo-N-methyloct-1-en-3-amine (CID 123321557) is 5-bromo-N-methyloct-1-en-3-amine.
What is the SMILES notation for 5-bromo-N-methyloct-1-en-3-amine?
The canonical SMILES for 5-bromo-N-methyloct-1-en-3-amine is C=CC(CC(Br)CCC)NC.
What is the InChIKey of 5-bromo-N-methyloct-1-en-3-amine?
The InChIKey is SLSKOVNDERDPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrN/c1-4-6-8(10)7-9(5-2)11-3/h5,8-9,11H,2,4,6-7H2,1,3H3.
What are the key properties of 5-bromo-N-methyloct-1-en-3-amine?
5-bromo-N-methyloct-1-en-3-amine has a molecular weight of 220.15 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyloct-1-en-3-amine is sourced from PubChem (CID 123321557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).