1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine

C16H31F3N2 — CID 64753697

IUPAC1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(CC)CN(CC)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H31F3N2/c1-4-13(5-2)11-21(6-3)15(12-20)9-7-14(8-10-15)16(17,18)19/h13-14H,4-12,20H2,1-3H3
InChIKeyRHTUWMUMHGIBAC-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.19
Rot. Bonds7

About 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753697) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753697
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(CC)CN(CC)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H31F3N2/c1-4-13(5-2)11-21(6-3)15(12-20)9-7-14(8-10-15)16(17,18)19/h13-14H,4-12,20H2,1-3H3
InChIKeyRHTUWMUMHGIBAC-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753697) is 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine is CCC(CC)CN(CC)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is RHTUWMUMHGIBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-4-13(5-2)11-21(6-3)15(12-20)9-7-14(8-10-15)16(17,18)19/h13-14H,4-12,20H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).