2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine

C17H29N3 — CID 62615844

IUPAC2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN(C)Cc1cccnc1
InChIInChI=1S/C17H29N3/c1-3-10-19-17-9-5-4-8-16(17)14-20(2)13-15-7-6-11-18-12-15/h6-7,11-12,16-17,19H,3-5,8-10,13-14H2,1-2H3
InChIKeyDKGUBHITBWUXPZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.07
Rot. Bonds7

About 2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine

2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine (PubChem CID 62615844) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
PubChem CID62615844
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN(C)Cc1cccnc1
InChIInChI=1S/C17H29N3/c1-3-10-19-17-9-5-4-8-16(17)14-20(2)13-15-7-6-11-18-12-15/h6-7,11-12,16-17,19H,3-5,8-10,13-14H2,1-2H3
InChIKeyDKGUBHITBWUXPZ-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104736957
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine
CID 62610535
N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79842445
N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine
CID 62615411
2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62610873
N-ethyl-2,2-dimethyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79866959
N,2,2-trimethyl-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79852306
2-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62616260
N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 62616342
2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63483230
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine (CID 62615844) is 2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1CN(C)Cc1cccnc1.
What is the InChIKey of 2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is DKGUBHITBWUXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-10-19-17-9-5-4-8-16(17)14-20(2)13-15-7-6-11-18-12-15/h6-7,11-12,16-17,19H,3-5,8-10,13-14H2,1-2H3.
What are the key properties of 2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine?
2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62615844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).