trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine

C16H36N4 — CID 11637771

IUPACtrans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine
SMILESCC(C)[C@H](N)CN[C@@H]1CCCC[C@H]1NC[C@@H](N)C(C)C
InChIInChI=1S/C16H36N4/c1-11(2)13(17)9-19-15-7-5-6-8-16(15)20-10-14(18)12(3)4/h11-16,19-20H,5-10,17-18H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKeyNGLATRZFISAERA-KLHDSHLOSA-N
MW284.49 g/mol
LogP1.44
Rot. Bonds8

About trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine

trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine (PubChem CID 11637771) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine
PubChem CID11637771
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Nametrans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine
SMILESCC(C)[C@H](N)CN[C@@H]1CCCC[C@H]1NC[C@@H](N)C(C)C
InChIInChI=1S/C16H36N4/c1-11(2)13(17)9-19-15-7-5-6-8-16(15)20-10-14(18)12(3)4/h11-16,19-20H,5-10,17-18H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKeyNGLATRZFISAERA-KLHDSHLOSA-N
XLogP1.44
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine with MolForge

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Related Compounds

1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine
CID 62088069
N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441063
1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
CID 20674175
1-N-cycloheptyl-3-methylpentane-1,2-diamine
CID 61150855
N-(2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790
trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine
CID 69355597
N-[(2S)-2,3-dimethylbutyl]cyclopentanamine
CID 59085010
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 43205442
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine (CID 11637771) is trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine is CC(C)[C@H](N)CN[C@@H]1CCCC[C@H]1NC[C@@H](N)C(C)C.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine?
The InChIKey is NGLATRZFISAERA-KLHDSHLOSA-N. The full InChI is InChI=1S/C16H36N4/c1-11(2)13(17)9-19-15-7-5-6-8-16(15)20-10-14(18)12(3)4/h11-16,19-20H,5-10,17-18H2,1-4H3/t13-,14-,15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine has a molecular weight of 284.49 g/mol, XLogP of 1.44, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 11637771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).