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

C14H31N3 — CID 65384408

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1(CN)CCCC(C)C1
InChIInChI=1S/C14H31N3/c1-4-17(5-2)10-9-16-14(12-15)8-6-7-13(3)11-14/h13,16H,4-12,15H2,1-3H3
InChIKeyRQZWUNAJBAICQK-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.83
Rot. Bonds7

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

N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 65384408) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
PubChem CID65384408
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1(CN)CCCC(C)C1
InChIInChI=1S/C14H31N3/c1-4-17(5-2)10-9-16-14(12-15)8-6-7-13(3)11-14/h13,16H,4-12,15H2,1-3H3
InChIKeyRQZWUNAJBAICQK-UHFFFAOYSA-N
XLogP1.83
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65383357
1-(aminomethyl)-N-but-3-ynyl-3-methylcyclohexan-1-amine
CID 116641321
[1-[2-(diethylamino)ethylamino]-3-methylcyclobutyl]methanol
CID 103564776
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 65383770
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine
CID 115406357
N-[4-(aminomethyl)-1,1-dioxothian-4-yl]-N',N'-diethylethane-1,2-diamine
CID 65385474
N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine
CID 103562986
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 106173193
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 79847920
1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid
CID 64754341
1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
CID 106872430
1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine
CID 107449080

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine (CID 65384408) is N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC1(CN)CCCC(C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is RQZWUNAJBAICQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-4-17(5-2)10-9-16-14(12-15)8-6-7-13(3)11-14/h13,16H,4-12,15H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine?
N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.83, 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-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 65384408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).