N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine

C14H26N2 — CID 107489886

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine
SMILESC1=C(CCNC2CCCCCC2)CCNC1
InChIInChI=1S/C14H26N2/c1-2-4-6-14(5-3-1)16-12-9-13-7-10-15-11-8-13/h7,14-16H,1-6,8-12H2
InChIKeyWBFHJSYVKPBSGA-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.61
Rot. Bonds4

About N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine (PubChem CID 107489886) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine
PubChem CID107489886
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine
SMILESC1=C(CCNC2CCCCCC2)CCNC1
InChIInChI=1S/C14H26N2/c1-2-4-6-14(5-3-1)16-12-9-13-7-10-15-11-8-13/h7,14-16H,1-6,8-12H2
InChIKeyWBFHJSYVKPBSGA-UHFFFAOYSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine
CID 107487788
2-cyclohexyl-N-[2-(cyclopenten-1-yl)ethyl]cyclohexan-1-amine
CID 106169105
(3S)-N-[2-(cyclohexen-1-yl)ethyl]thian-3-amine
CID 94885734
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
N-[2-(cyclopenten-1-yl)ethyl]-1-methylpiperidin-3-amine
CID 106169620
N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine
CID 65082862
N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844817
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine
CID 64545973
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine
CID 82256808
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
(3R)-N-[2-(cyclohexen-1-yl)ethyl]thiolan-3-amine
CID 28620749
N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
CID 63331729

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine (CID 107489886) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine is C1=C(CCNC2CCCCCC2)CCNC1.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine?
The InChIKey is WBFHJSYVKPBSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-4-6-14(5-3-1)16-12-9-13-7-10-15-11-8-13/h7,14-16H,1-6,8-12H2.
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine has a molecular weight of 222.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 107489886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).