2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine

C14H26N2 — CID 114410885

IUPAC2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine
SMILESCC1=CCN(CC2CCCCCC2N)CC1
InChIInChI=1S/C14H26N2/c1-12-7-9-16(10-8-12)11-13-5-3-2-4-6-14(13)15/h7,13-14H,2-6,8-11,15H2,1H3
InChIKeyDHSGLNULGWBQQI-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.55
Rot. Bonds2

About 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine

2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine (PubChem CID 114410885) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine
PubChem CID114410885
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine
SMILESCC1=CCN(CC2CCCCCC2N)CC1
InChIInChI=1S/C14H26N2/c1-12-7-9-16(10-8-12)11-13-5-3-2-4-6-14(13)15/h7,13-14H,2-6,8-11,15H2,1H3
InChIKeyDHSGLNULGWBQQI-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
CID 114460259
2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine
CID 106314830
2-(azepan-1-ylmethyl)cycloheptan-1-amine
CID 62616403
2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine
CID 62614630
2-[(4-methylidenepiperidin-1-yl)methyl]cyclopentan-1-amine
CID 130816206
2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine
CID 63159739
2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
CID 15102
ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine
CID 158821853
2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63624498
2-(pyrrolidin-1-ylmethyl)cyclopentan-1-amine
CID 23009063
N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 104694198
2-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62615480

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine (CID 114410885) is 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine is CC1=CCN(CC2CCCCCC2N)CC1.
What is the InChIKey of 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine?
The InChIKey is DHSGLNULGWBQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-12-7-9-16(10-8-12)11-13-5-3-2-4-6-14(13)15/h7,13-14H,2-6,8-11,15H2,1H3.
What are the key properties of 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine?
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 114410885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).