4-(azocan-1-yl)-N-methylbutan-1-amine

C12H26N2 — CID 60841178

IUPAC4-(azocan-1-yl)-N-methylbutan-1-amine
SMILESCNCCCCN1CCCCCCC1
InChIInChI=1S/C12H26N2/c1-13-9-5-8-12-14-10-6-3-2-4-7-11-14/h13H,2-12H2,1H3
InChIKeyYGEBYNCQHVFFKU-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds5

About 4-(azocan-1-yl)-N-methylbutan-1-amine

4-(azocan-1-yl)-N-methylbutan-1-amine (PubChem CID 60841178) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-(azocan-1-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(azocan-1-yl)-N-methylbutan-1-amine
PubChem CID60841178
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-(azocan-1-yl)-N-methylbutan-1-amine
SMILESCNCCCCN1CCCCCCC1
InChIInChI=1S/C12H26N2/c1-13-9-5-8-12-14-10-6-3-2-4-7-11-14/h13H,2-12H2,1H3
InChIKeyYGEBYNCQHVFFKU-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(azocan-1-yl)-N-methylbutan-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-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
CID 143591105
N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine
CID 164861314
N-methyl-5-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62418821
N-methyl-3-(2-piperidin-1-ylethoxy)propan-1-amine
CID 62459312
5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine
CID 55157288
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride
CID 119836634
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine
CID 60840838
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-N-methylbutan-1-amine?
The IUPAC name of 4-(azocan-1-yl)-N-methylbutan-1-amine (CID 60841178) is 4-(azocan-1-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(azocan-1-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(azocan-1-yl)-N-methylbutan-1-amine is CNCCCCN1CCCCCCC1.
What is the InChIKey of 4-(azocan-1-yl)-N-methylbutan-1-amine?
The InChIKey is YGEBYNCQHVFFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-13-9-5-8-12-14-10-6-3-2-4-7-11-14/h13H,2-12H2,1H3.
What are the key properties of 4-(azocan-1-yl)-N-methylbutan-1-amine?
4-(azocan-1-yl)-N-methylbutan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 60841178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).