4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine

C13H19N3 — CID 107383124

IUPAC4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine
SMILESNc1cc(CC2=CC(N)CCCC2)ccn1
InChIInChI=1S/C13H19N3/c14-12-4-2-1-3-10(8-12)7-11-5-6-16-13(15)9-11/h5-6,8-9,12H,1-4,7,14H2,(H2,15,16)
InChIKeyCRWDFIJEAYQSEG-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.03
Rot. Bonds2

About 4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine

4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine (PubChem CID 107383124) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine
PubChem CID107383124
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine
SMILESNc1cc(CC2=CC(N)CCCC2)ccn1
InChIInChI=1S/C13H19N3/c14-12-4-2-1-3-10(8-12)7-11-5-6-16-13(15)9-11/h5-6,8-9,12H,1-4,7,14H2,(H2,15,16)
InChIKeyCRWDFIJEAYQSEG-UHFFFAOYSA-N
XLogP2.03
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine (CID 107383124) is 4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine is Nc1cc(CC2=CC(N)CCCC2)ccn1.
What is the InChIKey of 4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine?
The InChIKey is CRWDFIJEAYQSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-12-4-2-1-3-10(8-12)7-11-5-6-16-13(15)9-11/h5-6,8-9,12H,1-4,7,14H2,(H2,15,16).
What are the key properties of 4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine?
4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 107383124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).