2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine

C12H26N2 — CID 103389347

IUPAC2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine
SMILESCCC1CCC(CNC(C)CN)CC1
InChIInChI=1S/C12H26N2/c1-3-11-4-6-12(7-5-11)9-14-10(2)8-13/h10-12,14H,3-9,13H2,1-2H3
InChIKeyCDPCKCPYUXVHSK-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.14
Rot. Bonds5

About 2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine

2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine (PubChem CID 103389347) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine
PubChem CID103389347
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine
SMILESCCC1CCC(CNC(C)CN)CC1
InChIInChI=1S/C12H26N2/c1-3-11-4-6-12(7-5-11)9-14-10(2)8-13/h10-12,14H,3-9,13H2,1-2H3
InChIKeyCDPCKCPYUXVHSK-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]propan-2-amine
CID 60972109
2-N-(thian-4-ylmethyl)propane-1,2-diamine
CID 103391033
2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine
CID 118876014
(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine
CID 104867709
(2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine
CID 104867674
N-[(4-ethylcyclohexyl)methyl]-1,1-difluoropropan-2-amine
CID 102869220
N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine
CID 63451824
2-(cyclopropylmethylamino)propan-1-ol
CID 43560365
ethanamine;ethylcyclopropane
CID 70018487
N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine
CID 115626115
1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 112687372
[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine
CID 134168481

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine (CID 103389347) is 2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine is CCC1CCC(CNC(C)CN)CC1.
What is the InChIKey of 2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine?
The InChIKey is CDPCKCPYUXVHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-11-4-6-12(7-5-11)9-14-10(2)8-13/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of 2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine?
2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 103389347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).