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

C15H33N3 — CID 79847920

IUPACN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1(CN)CCCCC1(C)C
InChIInChI=1S/C15H33N3/c1-5-18(6-2)12-11-17-15(13-16)10-8-7-9-14(15,3)4/h17H,5-13,16H2,1-4H3
InChIKeyWCFAITKMCPPDPG-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.22
Rot. Bonds7

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

N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 79847920) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
PubChem CID79847920
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1(CN)CCCCC1(C)C
InChIInChI=1S/C15H33N3/c1-5-18(6-2)12-11-17-15(13-16)10-8-7-9-14(15,3)4/h17H,5-13,16H2,1-4H3
InChIKeyWCFAITKMCPPDPG-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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Related Compounds

[1-[2-(diethylamino)ethylamino]-2,2-dimethylcyclopentyl]methanol
CID 79863280
3-[[1-(aminomethyl)-2,2-dimethylcyclohexyl]amino]propan-1-ol
CID 79847478
1-(aminomethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79856786
N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65383357
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 65383770
[1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol
CID 79852600
N-[4-(aminomethyl)-1,1-dioxothian-4-yl]-N',N'-diethylethane-1,2-diamine
CID 65385474
N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65384408
1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide
CID 61005401
1-(aminomethyl)-N-[2-(diethylamino)ethyl]cyclopentane-1-carboxamide
CID 55037810
1-(aminomethyl)-N-cyclohexyl-2,2-dimethylcyclohexan-1-amine
CID 79847390
1-[2-(diethylamino)ethylamino]cyclopropane-1-carboxamide
CID 104577737

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine (CID 79847920) is N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC1(CN)CCCCC1(C)C.
What is the InChIKey of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is WCFAITKMCPPDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-18(6-2)12-11-17-15(13-16)10-8-7-9-14(15,3)4/h17H,5-13,16H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine?
N-[1-(aminomethyl)-2,2-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)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 79847920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).