N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine

C15H33N3 — CID 65383357

IUPACN-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1(CN)CCCC(C)(C)C1
InChIInChI=1S/C15H33N3/c1-5-18(6-2)11-10-17-15(13-16)9-7-8-14(3,4)12-15/h17H,5-13,16H2,1-4H3
InChIKeyZTNBTJSFKWURKA-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.22
Rot. Bonds7

About N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine

N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 65383357) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
PubChem CID65383357
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1(CN)CCCC(C)(C)C1
InChIInChI=1S/C15H33N3/c1-5-18(6-2)11-10-17-15(13-16)9-7-8-14(3,4)12-15/h17H,5-13,16H2,1-4H3
InChIKeyZTNBTJSFKWURKA-UHFFFAOYSA-N
XLogP2.22
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine (CID 65383357) is N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC1(CN)CCCC(C)(C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is ZTNBTJSFKWURKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-18(6-2)11-10-17-15(13-16)9-7-8-14(3,4)12-15/h17H,5-13,16H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine?
N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 65383357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).