N-methylhept-6-yn-1-amine

C8H15N — CID 64502555

IUPACN-methylhept-6-yn-1-amine
SMILESC#CCCCCCNC
InChIInChI=1S/C8H15N/c1-3-4-5-6-7-8-9-2/h1,9H,4-8H2,2H3
InChIKeyLKUXRFZZQBLOEM-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.40
Rot. Bonds5

About N-methylhept-6-yn-1-amine

N-methylhept-6-yn-1-amine (PubChem CID 64502555) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-methylhept-6-yn-1-amine.

Molecular Properties

Compound NameN-methylhept-6-yn-1-amine
PubChem CID64502555
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-methylhept-6-yn-1-amine
SMILESC#CCCCCCNC
InChIInChI=1S/C8H15N/c1-3-4-5-6-7-8-9-2/h1,9H,4-8H2,2H3
InChIKeyLKUXRFZZQBLOEM-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methylhept-6-yn-1-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-methylpent-4-yn-1-amine;hydrochloride
CID 119099161
N-methyl-N'-pent-4-ynylpropane-1,3-diamine
CID 59962672
N-methylbut-3-yn-1-amine
CID 12623598
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
CID 172706336
CID 172706336
N-methyldec-8-yn-1-amine
CID 170134764
1-hex-5-ynyl-3-methylurea
CID 103757181
1-(methylamino)oct-7-yn-3-one
CID 116561124
oct-1-yne
CID 19597608
12-methyltridec-1-yne
CID 10921423

Frequently Asked Questions

What is the IUPAC name of N-methylhept-6-yn-1-amine?
The IUPAC name of N-methylhept-6-yn-1-amine (CID 64502555) is N-methylhept-6-yn-1-amine.
What is the SMILES notation for N-methylhept-6-yn-1-amine?
The canonical SMILES for N-methylhept-6-yn-1-amine is C#CCCCCCNC.
What is the InChIKey of N-methylhept-6-yn-1-amine?
The InChIKey is LKUXRFZZQBLOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-4-5-6-7-8-9-2/h1,9H,4-8H2,2H3.
What are the key properties of N-methylhept-6-yn-1-amine?
N-methylhept-6-yn-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhept-6-yn-1-amine is sourced from PubChem (CID 64502555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).