N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine

C21H43N — CID 138564256

IUPACN-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine
SMILESCCCCCC(C)C(C)C1CC(CCCCC)C1CCNC
InChIInChI=1S/C21H43N/c1-6-8-10-12-17(3)18(4)21-16-19(13-11-9-7-2)20(21)14-15-22-5/h17-22H,6-16H2,1-5H3
InChIKeyGLLRWLRBTNKLHT-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.28
Rot. Bonds13

About N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine

N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine (PubChem CID 138564256) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine
PubChem CID138564256
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC NameN-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine
SMILESCCCCCC(C)C(C)C1CC(CCCCC)C1CCNC
InChIInChI=1S/C21H43N/c1-6-8-10-12-17(3)18(4)21-16-19(13-11-9-7-2)20(21)14-15-22-5/h17-22H,6-16H2,1-5H3
InChIKeyGLLRWLRBTNKLHT-UHFFFAOYSA-N
XLogP6.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine
CID 70916013
N-methyl-1-[(1S,2R)-2-octylcyclopropyl]hexadecan-8-amine
CID 135356098
1-butyl-2-pentan-2-ylcyclopropane
CID 90836008
5-(2-butan-2-ylcyclopropyl)-N-methylpentan-1-amine
CID 155441990
1-nonan-3-yl-2-pentylcyclopropane
CID 20771222
1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane
CID 91373966
3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine
CID 135160947
(2-octylcyclopropyl)methanediol
CID 165392128
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine
CID 126711427
N,N-dimethyl-21-[(1S,2R)-2-octylcyclopropyl]henicosan-10-amine
CID 56944623
(8S)-N,N-dimethyl-1-[(2R)-2-octylcyclopropyl]pentadecan-8-amine
CID 126566336

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine?
The IUPAC name of N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine (CID 138564256) is N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine is CCCCCC(C)C(C)C1CC(CCCCC)C1CCNC.
What is the InChIKey of N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine?
The InChIKey is GLLRWLRBTNKLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-6-8-10-12-17(3)18(4)21-16-19(13-11-9-7-2)20(21)14-15-22-5/h17-22H,6-16H2,1-5H3.
What are the key properties of N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine?
N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine has a molecular weight of 309.58 g/mol, XLogP of 6.28, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine is sourced from PubChem (CID 138564256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).