1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine

C16H31NO — CID 80684611

IUPAC1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
SMILESCCC1CCCC(C(NC)C2(C)CCCCO2)C1
InChIInChI=1S/C16H31NO/c1-4-13-8-7-9-14(12-13)15(17-3)16(2)10-5-6-11-18-16/h13-15,17H,4-12H2,1-3H3
InChIKeyRSHIGGXCZMFLDJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds4

About 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine

1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine (PubChem CID 80684611) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
PubChem CID80684611
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
SMILESCCC1CCCC(C(NC)C2(C)CCCCO2)C1
InChIInChI=1S/C16H31NO/c1-4-13-8-7-9-14(12-13)15(17-3)16(2)10-5-6-11-18-16/h13-15,17H,4-12H2,1-3H3
InChIKeyRSHIGGXCZMFLDJ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methyloxan-2-yl)-1-(oxan-3-yl)methanamine
CID 107136743
1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 104992281
N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine
CID 80683659
N-[(3-ethylcyclohexyl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 104992419
1-(2,2-dimethylcyclopropyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 107004575
1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330302
1-(3-ethylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65394157
1-(3-ethylcyclohexyl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 65422358
N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine
CID 80685208
[cyclopentyl-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250716
1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058669
1-(2,3-dihydrofuran-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 102651699

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The IUPAC name of 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine (CID 80684611) is 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine is CCC1CCCC(C(NC)C2(C)CCCCO2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The InChIKey is RSHIGGXCZMFLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-13-8-7-9-14(12-13)15(17-3)16(2)10-5-6-11-18-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine is sourced from PubChem (CID 80684611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).