N'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine

C15H30N2 — CID 129071059

IUPACN'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine
SMILESC=C(NCCN)[C@@H]1C[C@H](C)CCC1CC(C)C
InChIInChI=1S/C15H30N2/c1-11(2)9-14-6-5-12(3)10-15(14)13(4)17-8-7-16/h11-12,14-15,17H,4-10,16H2,1-3H3/t12-,14?,15+/m1/s1
InChIKeyGUTGIXFZUXHGRW-ATFAPYMMSA-N
MW238.42 g/mol
LogP3.15
Rot. Bonds6

About N'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine

N'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine (PubChem CID 129071059) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine
PubChem CID129071059
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine
SMILESC=C(NCCN)[C@@H]1C[C@H](C)CCC1CC(C)C
InChIInChI=1S/C15H30N2/c1-11(2)9-14-6-5-12(3)10-15(14)13(4)17-8-7-16/h11-12,14-15,17H,4-10,16H2,1-3H3/t12-,14?,15+/m1/s1
InChIKeyGUTGIXFZUXHGRW-ATFAPYMMSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine (CID 129071059) is N'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine is C=C(NCCN)[C@@H]1C[C@H](C)CCC1CC(C)C.
What is the InChIKey of N'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine?
The InChIKey is GUTGIXFZUXHGRW-ATFAPYMMSA-N. The full InChI is InChI=1S/C15H30N2/c1-11(2)9-14-6-5-12(3)10-15(14)13(4)17-8-7-16/h11-12,14-15,17H,4-10,16H2,1-3H3/t12-,14?,15+/m1/s1.
What are the key properties of N'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine?
N'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(1R,5R)-5-methyl-2-(2-methylpropyl)cyclohexyl]ethenyl]ethane-1,2-diamine is sourced from PubChem (CID 129071059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).