1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine

C17H35N3O — CID 62007321

IUPAC1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine
SMILESCCCN(CCN1CCOCC1)C1(CN)CCCC(C)C1
InChIInChI=1S/C17H35N3O/c1-3-7-20(9-8-19-10-12-21-13-11-19)17(15-18)6-4-5-16(2)14-17/h16H,3-15,18H2,1-2H3
InChIKeyJWOHBLJRRFTUOZ-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.94
Rot. Bonds7

About 1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine

1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine (PubChem CID 62007321) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine
PubChem CID62007321
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine
SMILESCCCN(CCN1CCOCC1)C1(CN)CCCC(C)C1
InChIInChI=1S/C17H35N3O/c1-3-7-20(9-8-19-10-12-21-13-11-19)17(15-18)6-4-5-16(2)14-17/h16H,3-15,18H2,1-2H3
InChIKeyJWOHBLJRRFTUOZ-UHFFFAOYSA-N
XLogP1.94
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine
CID 62006191
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
CID 80698860
N,N,3-trimethyl-1-[(2-morpholin-4-ylethylamino)methyl]cyclohexan-1-amine
CID 61211177
1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
CID 63485990
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylpropane-1-sulfonamide
CID 62007624
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide
CID 62007623
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-methylcyclohexan-1-amine
CID 62007118
1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea
CID 79153396
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111077161
1-(aminomethyl)-N-ethyl-N-(3-ethylsulfonylpropyl)-3-methylcyclohexan-1-amine
CID 65093979
3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine
CID 117012445
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine (CID 62007321) is 1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine is CCCN(CCN1CCOCC1)C1(CN)CCCC(C)C1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine?
The InChIKey is JWOHBLJRRFTUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-3-7-20(9-8-19-10-12-21-13-11-19)17(15-18)6-4-5-16(2)14-17/h16H,3-15,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine?
1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine has a molecular weight of 297.49 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-(2-morpholin-4-ylethyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62007321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).