4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine

C14H21N3 — CID 150395237

IUPAC4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine
SMILESNC1CCC(N[C@H]2C[C@H]2c2ccccn2)CC1
InChIInChI=1S/C14H21N3/c15-10-4-6-11(7-5-10)17-14-9-12(14)13-3-1-2-8-16-13/h1-3,8,10-12,14,17H,4-7,9,15H2/t10?,11?,12-,14-/m0/s1
InChIKeyHCORYGQWVSWIOL-BUCSNLDVSA-N
MW231.34 g/mol
LogP1.80
Rot. Bonds3

About 4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine

4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine (PubChem CID 150395237) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine
PubChem CID150395237
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine
SMILESNC1CCC(N[C@H]2C[C@H]2c2ccccn2)CC1
InChIInChI=1S/C14H21N3/c15-10-4-6-11(7-5-10)17-14-9-12(14)13-3-1-2-8-16-13/h1-3,8,10-12,14,17H,4-7,9,15H2/t10?,11?,12-,14-/m0/s1
InChIKeyHCORYGQWVSWIOL-BUCSNLDVSA-N
XLogP1.80
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-pyridin-2-ylcyclopentan-1-amine
CID 67133523
4-N-[(1R,2S)-2-[4-(pyridin-3-ylmethoxy)phenyl]cyclopropyl]cyclohexane-1,4-diamine
CID 71553561
4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine
CID 170087346
4-N-(2,3-dihydro-1H-inden-2-yl)cyclohexane-1,4-diamine
CID 62313141
4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine
CID 79724278
3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol
CID 71553401
4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine
CID 158561416
4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine
CID 62314935
4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride
CID 71643877
4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride
CID 135351315
3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine
CID 113365122
(3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine
CID 90395375

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine (CID 150395237) is 4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine is NC1CCC(N[C@H]2C[C@H]2c2ccccn2)CC1.
What is the InChIKey of 4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine?
The InChIKey is HCORYGQWVSWIOL-BUCSNLDVSA-N. The full InChI is InChI=1S/C14H21N3/c15-10-4-6-11(7-5-10)17-14-9-12(14)13-3-1-2-8-16-13/h1-3,8,10-12,14,17H,4-7,9,15H2/t10?,11?,12-,14-/m0/s1.
What are the key properties of 4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine?
4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine has a molecular weight of 231.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 150395237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).