2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine

C13H28N2 — CID 43293554

IUPAC2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
SMILESCCCCN(CC)C1CCCCC1CN
InChIInChI=1S/C13H28N2/c1-3-5-10-15(4-2)13-9-7-6-8-12(13)11-14/h12-13H,3-11,14H2,1-2H3
InChIKeyDQVBEDGOOQWFGF-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds6

About 2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine

2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine (PubChem CID 43293554) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
PubChem CID43293554
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
SMILESCCCCN(CC)C1CCCCC1CN
InChIInChI=1S/C13H28N2/c1-3-5-10-15(4-2)13-9-7-6-8-12(13)11-14/h12-13H,3-11,14H2,1-2H3
InChIKeyDQVBEDGOOQWFGF-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(aminomethyl)cyclohexyl]-butylamino]acetamide
CID 55002703
2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
CID 43293551
2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine
CID 114334223
2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine
CID 43294515
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine
CID 54985662
2-[[2-(aminomethyl)cyclopentyl]-propylamino]ethanol
CID 61424719
2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine
CID 82965659
2-[butyl-(2-ethylcyclohexyl)amino]ethanol
CID 63861495
methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate
CID 63382692
2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293547
2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
CID 43588483
2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 116502185

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine (CID 43293554) is 2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine is CCCCN(CC)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine?
The InChIKey is DQVBEDGOOQWFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-5-10-15(4-2)13-9-7-6-8-12(13)11-14/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine?
2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 43293554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).