(2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine

C13H27N3 — CID 143486921

IUPAC(2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine
SMILESC=C(NC)N[C@H](CNC)CC1CCCCC1
InChIInChI=1S/C13H27N3/c1-11(15-3)16-13(10-14-2)9-12-7-5-4-6-8-12/h12-16H,1,4-10H2,2-3H3/t13-/m0/s1
InChIKeyMHKHYSMLVCMQOV-ZDUSSCGKSA-N
MW225.38 g/mol
LogP1.83
Rot. Bonds7

About (2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine

(2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine (PubChem CID 143486921) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine
PubChem CID143486921
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name(2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine
SMILESC=C(NC)N[C@H](CNC)CC1CCCCC1
InChIInChI=1S/C13H27N3/c1-11(15-3)16-13(10-14-2)9-12-7-5-4-6-8-12/h12-16H,1,4-10H2,2-3H3/t13-/m0/s1
InChIKeyMHKHYSMLVCMQOV-ZDUSSCGKSA-N
XLogP1.83
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine?
The IUPAC name of (2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine (CID 143486921) is (2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine?
The canonical SMILES for (2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine is C=C(NC)N[C@H](CNC)CC1CCCCC1.
What is the InChIKey of (2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine?
The InChIKey is MHKHYSMLVCMQOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(15-3)16-13(10-14-2)9-12-7-5-4-6-8-12/h12-16H,1,4-10H2,2-3H3/t13-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine?
(2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-1-N-methyl-2-N-[1-(methylamino)ethenyl]propane-1,2-diamine is sourced from PubChem (CID 143486921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).