N-methyloct-3-en-1-amine

C9H19N — CID 79592255

IUPACN-methyloct-3-en-1-amine
SMILESCCCCC=CCCNC
InChIInChI=1S/C9H19N/c1-3-4-5-6-7-8-9-10-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyFKDFCILMZHDSBW-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds6

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

N-methyloct-3-en-1-amine (PubChem CID 79592255) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-methyloct-3-en-1-amine.

Molecular Properties

Compound NameN-methyloct-3-en-1-amine
PubChem CID79592255
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-methyloct-3-en-1-amine
SMILESCCCCC=CCCNC
InChIInChI=1S/C9H19N/c1-3-4-5-6-7-8-9-10-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyFKDFCILMZHDSBW-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dec-5-ene;trihydrobromide
CID 175802238
N-methyloctadeca-9,12-dien-1-amine
CID 72503072
N-methylhept-4-en-1-amine
CID 122695118
(9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride
CID 175800296
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
pentadeca-4,10-diene
CID 54306056
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
N-methyl-3-nonylicos-11-en-1-amine
CID 166036929
2-heptadec-8-enoxy-N-methylethanamine
CID 72521648
N-methylpropan-1-amine;pentanal
CID 145316342
(E)-4-bromo-N-methylbut-3-en-1-amine
CID 20625500

Frequently Asked Questions

What is the IUPAC name of N-methyloct-3-en-1-amine?
The IUPAC name of N-methyloct-3-en-1-amine (CID 79592255) is N-methyloct-3-en-1-amine.
What is the SMILES notation for N-methyloct-3-en-1-amine?
The canonical SMILES for N-methyloct-3-en-1-amine is CCCCC=CCCNC.
What is the InChIKey of N-methyloct-3-en-1-amine?
The InChIKey is FKDFCILMZHDSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-3-4-5-6-7-8-9-10-2/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of N-methyloct-3-en-1-amine?
N-methyloct-3-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloct-3-en-1-amine is sourced from PubChem (CID 79592255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).