1-N-pyridin-4-ylcycloheptane-1,2-diamine

C12H19N3 — CID 63258544

IUPAC1-N-pyridin-4-ylcycloheptane-1,2-diamine
SMILESNC1CCCCCC1Nc1ccncc1
InChIInChI=1S/C12H19N3/c13-11-4-2-1-3-5-12(11)15-10-6-8-14-9-7-10/h6-9,11-12H,1-5,13H2,(H,14,15)
InChIKeyANFVNXFHQUHULF-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.15
Rot. Bonds2

About 1-N-pyridin-4-ylcycloheptane-1,2-diamine

1-N-pyridin-4-ylcycloheptane-1,2-diamine (PubChem CID 63258544) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-N-pyridin-4-ylcycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-pyridin-4-ylcycloheptane-1,2-diamine
PubChem CID63258544
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-N-pyridin-4-ylcycloheptane-1,2-diamine
SMILESNC1CCCCCC1Nc1ccncc1
InChIInChI=1S/C12H19N3/c13-11-4-2-1-3-5-12(11)15-10-6-8-14-9-7-10/h6-9,11-12H,1-5,13H2,(H,14,15)
InChIKeyANFVNXFHQUHULF-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 61038015
trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 93453630
trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine
CID 102496168
N-(2-ethylcyclohexyl)pyridin-4-amine
CID 61469829
1-N-(3-chloro-4-pyridinyl)cycloheptane-1,2-diamine
CID 79841115
2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
CID 115117777
2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
CID 102571444
N-(2-methylcyclopentyl)pyridin-4-amine
CID 63281266
4-[(2-aminocyclohexyl)amino]benzoic acid
CID 62230691
4-[(2-aminocyclohexyl)amino]benzenesulfonamide
CID 61037515
1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117122
N-[(2-aminocyclohexyl)methyl]pyridin-4-amine
CID 64926899

Frequently Asked Questions

What is the IUPAC name of 1-N-pyridin-4-ylcycloheptane-1,2-diamine?
The IUPAC name of 1-N-pyridin-4-ylcycloheptane-1,2-diamine (CID 63258544) is 1-N-pyridin-4-ylcycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-pyridin-4-ylcycloheptane-1,2-diamine?
The canonical SMILES for 1-N-pyridin-4-ylcycloheptane-1,2-diamine is NC1CCCCCC1Nc1ccncc1.
What is the InChIKey of 1-N-pyridin-4-ylcycloheptane-1,2-diamine?
The InChIKey is ANFVNXFHQUHULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-11-4-2-1-3-5-12(11)15-10-6-8-14-9-7-10/h6-9,11-12H,1-5,13H2,(H,14,15).
What are the key properties of 1-N-pyridin-4-ylcycloheptane-1,2-diamine?
1-N-pyridin-4-ylcycloheptane-1,2-diamine has a molecular weight of 205.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pyridin-4-ylcycloheptane-1,2-diamine is sourced from PubChem (CID 63258544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).