N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine

C12H23N — CID 66036883

IUPACN-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine
SMILESC=C(CC)CC1CCCC1NCC
InChIInChI=1S/C12H23N/c1-4-10(3)9-11-7-6-8-12(11)13-5-2/h11-13H,3-9H2,1-2H3
InChIKeyJXEQKCYVKNEKSQ-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds5

About N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine

N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine (PubChem CID 66036883) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine
PubChem CID66036883
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine
SMILESC=C(CC)CC1CCCC1NCC
InChIInChI=1S/C12H23N/c1-4-10(3)9-11-7-6-8-12(11)13-5-2/h11-13H,3-9H2,1-2H3
InChIKeyJXEQKCYVKNEKSQ-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-3-(2-methylidenebutyl)cyclopentan-1-amine
CID 66039281
trans-(1R,2S)-N-ethyl-2-propylcyclopentan-1-amine
CID 11665449
trans-(1R,2R)-N-ethyl-2-fluorocyclopentan-1-amine
CID 126847838
(2S)-1-N-ethylcyclopentane-1,2-diamine
CID 134287800
N,2-diethylcycloheptan-1-amine;propan-1-ol
CID 71071624
2-methyl-N-(2-methylidenebutyl)cyclopentan-1-amine
CID 66044515
N-ethyl-2-octylcyclopentan-1-amine
CID 63399748
2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine
CID 81026046
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
[2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol
CID 66046903
2-[4-[[2-(ethylamino)cyclopentyl]methyl]piperazin-1-yl]ethanol
CID 62616915
2-[cyclobutyl-[[2-(ethylamino)cyclohexyl]methyl]amino]ethanol
CID 102871036

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine (CID 66036883) is N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine is C=C(CC)CC1CCCC1NCC.
What is the InChIKey of N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine?
The InChIKey is JXEQKCYVKNEKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-10(3)9-11-7-6-8-12(11)13-5-2/h11-13H,3-9H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine?
N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine is sourced from PubChem (CID 66036883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).