4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine

C14H22N2 — CID 65080736

IUPAC4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
SMILESCC1CCCC(NCc2ccccn2)CC1
InChIInChI=1S/C14H22N2/c1-12-5-4-7-13(9-8-12)16-11-14-6-2-3-10-15-14/h2-3,6,10,12-13,16H,4-5,7-9,11H2,1H3
InChIKeyVEKJRVTYMWTSGN-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.14
Rot. Bonds3

About 4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine

4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine (PubChem CID 65080736) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
PubChem CID65080736
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
SMILESCC1CCCC(NCc2ccccn2)CC1
InChIInChI=1S/C14H22N2/c1-12-5-4-7-13(9-8-12)16-11-14-6-2-3-10-15-14/h2-3,6,10,12-13,16H,4-5,7-9,11H2,1H3
InChIKeyVEKJRVTYMWTSGN-UHFFFAOYSA-N
XLogP3.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
4-methyl-N-[(5-methyl-2-pyridinyl)methyl]cycloheptan-1-amine
CID 102795078
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434617
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
CID 43433255
3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 115656374

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine (CID 65080736) is 4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine is CC1CCCC(NCc2ccccn2)CC1.
What is the InChIKey of 4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine?
The InChIKey is VEKJRVTYMWTSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-5-4-7-13(9-8-12)16-11-14-6-2-3-10-15-14/h2-3,6,10,12-13,16H,4-5,7-9,11H2,1H3.
What are the key properties of 4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine?
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 65080736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).