N'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine

C12H26N2 — CID 757578

IUPACN'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1CCCCC1
InChIInChI=1S/C12H26N2/c1-13(2)9-10-14(3)11-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3
InChIKeyDEDCTVPEOSSSRL-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.06
Rot. Bonds5

About N'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine

N'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 757578) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID757578
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1CCCCC1
InChIInChI=1S/C12H26N2/c1-13(2)9-10-14(3)11-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3
InChIKeyDEDCTVPEOSSSRL-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine (CID 757578) is N'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CC1CCCCC1.
What is the InChIKey of N'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is DEDCTVPEOSSSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-13(2)9-10-14(3)11-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3.
What are the key properties of N'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 757578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).