4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine

C13H26N2 — CID 155331377

IUPAC4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCCC1CN(CC2CCC(NC)CC2)C1
InChIInChI=1S/C13H26N2/c1-3-11-8-15(9-11)10-12-4-6-13(14-2)7-5-12/h11-14H,3-10H2,1-2H3
InChIKeyPRHBPTFYVNUAIU-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds4

About 4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine

4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 155331377) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine
PubChem CID155331377
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCCC1CN(CC2CCC(NC)CC2)C1
InChIInChI=1S/C13H26N2/c1-3-11-8-15(9-11)10-12-4-6-13(14-2)7-5-12/h11-14H,3-10H2,1-2H3
InChIKeyPRHBPTFYVNUAIU-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(4-ethylcyclohexyl)methyl]azetidine
CID 130320709
7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine
CID 91593500
3-[(4-ethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 164846388
1-(cyclopropylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991199
(3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol
CID 138739789
1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62513783
(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936
1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995985
N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]acetamide
CID 112541972
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
CID 71196303
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine
CID 155331374

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine (CID 155331377) is 4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine is CCC1CN(CC2CCC(NC)CC2)C1.
What is the InChIKey of 4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is PRHBPTFYVNUAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-11-8-15(9-11)10-12-4-6-13(14-2)7-5-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine?
4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 155331377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).