N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine

C13H26N2 — CID 115453629

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine
SMILESCCN(CC1(CN)CC1)C1CCCCC1
InChIInChI=1S/C13H26N2/c1-2-15(11-13(10-14)8-9-13)12-6-4-3-5-7-12/h12H,2-11,14H2,1H3
InChIKeyTXNNFGFPWPCGQX-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.38
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine (PubChem CID 115453629) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine
PubChem CID115453629
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine
SMILESCCN(CC1(CN)CC1)C1CCCCC1
InChIInChI=1S/C13H26N2/c1-2-15(11-13(10-14)8-9-13)12-6-4-3-5-7-12/h12H,2-11,14H2,1H3
InChIKeyTXNNFGFPWPCGQX-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-N-ethylcyclopropanamine
CID 62261407
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethylcyclohexanamine
CID 65009192
N-[(1-aminocyclopentyl)methyl]-N-ethylcyclohexanamine
CID 60852825
1-[[cyclopentyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 60852096
N,N-diethylcycloundecanamine
CID 163828609
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine
CID 65010174
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 115448961
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine
CID 62262409
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 62259601
1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275816
N,N-diethylcyclobutanamine;ethane
CID 170746144
1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide
CID 115441343

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine (CID 115453629) is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine is CCN(CC1(CN)CC1)C1CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine?
The InChIKey is TXNNFGFPWPCGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-15(11-13(10-14)8-9-13)12-6-4-3-5-7-12/h12H,2-11,14H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine has a molecular weight of 210.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine is sourced from PubChem (CID 115453629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).