trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine

C15H32N4 — CID 69355597

IUPACtrans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine
SMILESC[C@H](CN[C@@H]1CCCC[C@H]1N)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C15H32N4/c1-11(19-15-9-5-3-7-13(15)17)10-18-14-8-4-2-6-12(14)16/h11-15,18-19H,2-10,16-17H2,1H3/t11-,12-,13-,14-,15-/m1/s1
InChIKeyOJWBMGGCOZVNDV-KJWHEZOQSA-N
MW268.45 g/mol
LogP1.09
Rot. Bonds5

About trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine (PubChem CID 69355597) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine
PubChem CID69355597
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Nametrans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine
SMILESC[C@H](CN[C@@H]1CCCC[C@H]1N)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C15H32N4/c1-11(19-15-9-5-3-7-13(15)17)10-18-14-8-4-2-6-12(14)16/h11-15,18-19H,2-10,16-17H2,1H3/t11-,12-,13-,14-,15-/m1/s1
InChIKeyOJWBMGGCOZVNDV-KJWHEZOQSA-N
XLogP1.09
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine with MolForge

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Related Compounds

trans-(1R,2R)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine;dihydrochloride
CID 139240197
1-N-ethylcyclononane-1,2-diamine
CID 123480411
(2S)-1-N-ethylcyclopentane-1,2-diamine
CID 134287800
2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine)
CID 54591000
trans-(1R,2R)-2-N-hexylcyclohexane-1,2-diamine;dihydrochloride
CID 139240198
1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
CID 20674175
trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine
CID 11637771
trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263
bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+))
CID 71481504
cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine
CID 55284519
2-ethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 21355496
trans-(1R,2R)-2-N-dodecylcyclohexane-1,2-diamine
CID 158355577

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine (CID 69355597) is trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine is C[C@H](CN[C@@H]1CCCC[C@H]1N)N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine?
The InChIKey is OJWBMGGCOZVNDV-KJWHEZOQSA-N. The full InChI is InChI=1S/C15H32N4/c1-11(19-15-9-5-3-7-13(15)17)10-18-14-8-4-2-6-12(14)16/h11-15,18-19H,2-10,16-17H2,1H3/t11-,12-,13-,14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine has a molecular weight of 268.45 g/mol, XLogP of 1.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 69355597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).