trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine

C26H28N4 — CID 70905536

IUPACtrans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine
SMILESc1ccc2nc(CN[C@H]3CCCC[C@@H]3NCc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C26H28N4/c1-3-9-23-19(7-1)13-15-21(29-23)17-27-25-11-5-6-12-26(25)28-18-22-16-14-20-8-2-4-10-24(20)30-22/h1-4,7-10,13-16,25-28H,5-6,11-12,17-18H2/t25-,26-/m0/s1
InChIKeyVPUZYGDWRCZFSL-UIOOFZCWSA-N
MW396.54 g/mol
LogP4.97
Rot. Bonds6

About trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine

trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 70905536) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine
PubChem CID70905536
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Nametrans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine
SMILESc1ccc2nc(CN[C@H]3CCCC[C@@H]3NCc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C26H28N4/c1-3-9-23-19(7-1)13-15-21(29-23)17-27-25-11-5-6-12-26(25)28-18-22-16-14-20-8-2-4-10-24(20)30-22/h1-4,7-10,13-16,25-28H,5-6,11-12,17-18H2/t25-,26-/m0/s1
InChIKeyVPUZYGDWRCZFSL-UIOOFZCWSA-N
XLogP4.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(quinolin-2-ylmethyl)cyclohexanamine
CID 28774764
1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
CID 43216158
3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 103698449
(1R)-1-cyclopentyl-N-(quinolin-2-ylmethyl)ethanamine
CID 81395320
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
CID 58622263
N-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]quinoline-2-carboxamide
CID 90644994
4-(quinolin-2-ylmethylamino)pyrrolidin-2-one
CID 114155310
1-(4-ethylcyclohexyl)-N-(quinolin-2-ylmethyl)methanamine
CID 63491346
N-cyclohexyl-2-quinolin-2-ylacetamide
CID 110464171
1-cyclopropyl-2-(quinolin-2-ylmethylamino)ethanol
CID 63298862
[2-(quinolin-2-ylmethyl)cyclohexyl]methanamine
CID 81010257

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine (CID 70905536) is trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine is c1ccc2nc(CN[C@H]3CCCC[C@@H]3NCc3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is VPUZYGDWRCZFSL-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H28N4/c1-3-9-23-19(7-1)13-15-21(29-23)17-27-25-11-5-6-12-26(25)28-18-22-16-14-20-8-2-4-10-24(20)30-22/h1-4,7-10,13-16,25-28H,5-6,11-12,17-18H2/t25-,26-/m0/s1.
What are the key properties of trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine?
trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 396.54 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 70905536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).