1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine

C17H34N2 — CID 79074775

IUPAC1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCNC(CC1CCC1)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H34N2/c1-5-18-16(12-15-9-6-10-15)17(19(3)4)11-7-8-14(2)13-17/h14-16,18H,5-13H2,1-4H3
InChIKeyVYFYTAWXZZZBCN-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds6

About 1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine

1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79074775) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79074775
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCNC(CC1CCC1)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H34N2/c1-5-18-16(12-15-9-6-10-15)17(19(3)4)11-7-8-14(2)13-17/h14-16,18H,5-13H2,1-4H3
InChIKeyVYFYTAWXZZZBCN-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
1-cyclohexyl-N-(2-piperidin-1-ylethyl)pentan-2-amine
CID 172451235
N,N,3-trimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cyclohexan-1-amine
CID 79064526
1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074481
1-[(2-fluoroethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 80694187
1-[(3-fluoropropylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 81107057
1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine
CID 115517277
N,N,3-trimethyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-amine
CID 116534649
N',N'-diethyl-N-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 338131
N~1~-[(1S)-1-Cyclohexylethyl]-N~2~-undecylethane-1,2-diamine
CID 16076543
2-N-[2-(4-cyclohexylbutylamino)-3-methylbutyl]-1-N-methylhexane-1,2-diamine
CID 73758710
6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine
CID 21469942

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79074775) is 1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine is CCNC(CC1CCC1)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is VYFYTAWXZZZBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-18-16(12-15-9-6-10-15)17(19(3)4)11-7-8-14(2)13-17/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).