N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine

C13H27N — CID 174352826

IUPACN-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine
SMILESCCNCCCCC1(CC)CC(C)C1
InChIInChI=1S/C13H27N/c1-4-13(10-12(3)11-13)8-6-7-9-14-5-2/h12,14H,4-11H2,1-3H3
InChIKeyHJMFPCOOMRWJMR-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds7

About N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine

N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine (PubChem CID 174352826) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine
PubChem CID174352826
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine
SMILESCCNCCCCC1(CC)CC(C)C1
InChIInChI=1S/C13H27N/c1-4-13(10-12(3)11-13)8-6-7-9-14-5-2/h12,14H,4-11H2,1-3H3
InChIKeyHJMFPCOOMRWJMR-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-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

1,1-diethyl-3-methylcyclobutane;methane
CID 171820543
N,N'-diethylpentane-1,5-diamine
CID 15013244
1-(chloromethyl)-3-methyl-1-pentylcyclobutane
CID 165442795
1,1-diethyl-3,5-dimethylcyclohexane
CID 91010762
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N-ethyl-N'-[[(1R,2R)-2-[[4-[4-[[(1R,2R)-2-[[4-[4-[[(1R,2R)-2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methylamino]butylamino]butylamino]methyl]cyclopropyl]methylamino]butylamino]butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 11073198
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine
CID 177188375
N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine
CID 62437965
N-ethyl-N'-[[2-[(heptylamino)methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 71166362
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine?
The IUPAC name of N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine (CID 174352826) is N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine is CCNCCCCC1(CC)CC(C)C1.
What is the InChIKey of N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine?
The InChIKey is HJMFPCOOMRWJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-13(10-12(3)11-13)8-6-7-9-14-5-2/h12,14H,4-11H2,1-3H3.
What are the key properties of N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine?
N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine is sourced from PubChem (CID 174352826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).