N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine

C17H29N3 — CID 62615411

IUPACN-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)Cc1ccncc1
InChIInChI=1S/C17H29N3/c1-3-19-17-8-6-4-5-7-16(17)14-20(2)13-15-9-11-18-12-10-15/h9-12,16-17,19H,3-8,13-14H2,1-2H3
InChIKeyIDHFYNYQTZHESA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.07
Rot. Bonds6

About N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine

N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine (PubChem CID 62615411) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine
PubChem CID62615411
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)Cc1ccncc1
InChIInChI=1S/C17H29N3/c1-3-19-17-8-6-4-5-7-16(17)14-20(2)13-15-9-11-18-12-10-15/h9-12,16-17,19H,3-8,13-14H2,1-2H3
InChIKeyIDHFYNYQTZHESA-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62615670
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine
CID 62610200
N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79842615
N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 62610534
2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615844
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615408
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62608952
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethylcycloheptan-1-amine
CID 63493297
N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine
CID 79486152
N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine
CID 62615233
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclopentan-1-amine
CID 62611217
N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine
CID 62614406

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine (CID 62615411) is N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine is CCNC1CCCCCC1CN(C)Cc1ccncc1.
What is the InChIKey of N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine?
The InChIKey is IDHFYNYQTZHESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-19-17-8-6-4-5-7-16(17)14-20(2)13-15-9-11-18-12-10-15/h9-12,16-17,19H,3-8,13-14H2,1-2H3.
What are the key properties of N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine?
N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine is sourced from PubChem (CID 62615411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).