1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine

C17H36N2 — CID 112682311

IUPAC1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCCCCN(CC)C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H36N2/c1-7-9-10-19(8-2)17(14-18)12-15(3,4)11-16(5,6)13-17/h7-14,18H2,1-6H3
InChIKeyPUEVCLFWFNWZOT-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.04
Rot. Bonds6

About 1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine

1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 112682311) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID112682311
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCCCCN(CC)C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H36N2/c1-7-9-10-19(8-2)17(14-18)12-15(3,4)11-16(5,6)13-17/h7-14,18H2,1-6H3
InChIKeyPUEVCLFWFNWZOT-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 115999151
N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992110
1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine
CID 112682313
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513
3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131841
1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63471719
3-(aminomethyl)-N-butyl-N-ethyl-5-methylthiolan-3-amine
CID 79950939
3-(aminomethyl)-N-butyl-1-cyclopropyl-N-ethylpyrrolidin-3-amine
CID 62975638
3-(aminomethyl)-N-butyl-N-ethyl-1,1-dioxothian-3-amine
CID 63924027
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115999043

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine (CID 112682311) is 1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine is CCCCN(CC)C1(CN)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is PUEVCLFWFNWZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-9-10-19(8-2)17(14-18)12-15(3,4)11-16(5,6)13-17/h7-14,18H2,1-6H3.
What are the key properties of 1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine?
1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 112682311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).