trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine

C6H15N2P — CID 138625966

IUPACtrans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1NP
InChIInChI=1S/C6H15N2P/c7-5-3-1-2-4-6(5)8-9/h5-6,8H,1-4,7,9H2/t5-,6-/m1/s1
InChIKeyRXVQBVOYKQYPCU-PHDIDXHHSA-N
MW146.17 g/mol
LogP0.64
Rot. Bonds1

About trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine

trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine (PubChem CID 138625966) has the molecular formula C6H15N2P and a molecular weight of 146.17 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine
PubChem CID138625966
Molecular FormulaC6H15N2P
Molecular Weight146.17 g/mol
Exact Mass146.10
IUPAC Nametrans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1NP
InChIInChI=1S/C6H15N2P/c7-5-3-1-2-4-6(5)8-9/h5-6,8H,1-4,7,9H2/t5-,6-/m1/s1
InChIKeyRXVQBVOYKQYPCU-PHDIDXHHSA-N
XLogP0.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine
CID 55284519
1-N-cyclopentylcycloheptane-1,2-diamine
CID 82933043
trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine
CID 89035848
1-N-ethylcyclononane-1,2-diamine
CID 123480411
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
N-(2-aminocyclohexyl)-2-(methylamino)acetamide
CID 130622235
cis-(1R,2S)-1-N-ethenylcyclopentane-1,2-diamine
CID 138599630
(2S)-1-N-ethylcyclopentane-1,2-diamine
CID 134287800
N-(2-aminocyclopentyl)cyclopentanecarboxamide
CID 63251373
[(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid
CID 70341778
trans-(1S,2S)-2-N-[2-[[(1S,2S)-2-(2-aminoprop-2-enylamino)cyclohexyl]amino]ethyl]cyclohexane-1,2-diamine
CID 140772508
N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide
CID 94547428

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine (CID 138625966) is trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1NP.
What is the InChIKey of trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine?
The InChIKey is RXVQBVOYKQYPCU-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H15N2P/c7-5-3-1-2-4-6(5)8-9/h5-6,8H,1-4,7,9H2/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine has a molecular weight of 146.17 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine is sourced from PubChem (CID 138625966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).