1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine

C16H31F3N2 — CID 64753679

IUPAC1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCCN(CCCC)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H31F3N2/c1-3-5-11-21(12-6-4-2)15(13-20)9-7-14(8-10-15)16(17,18)19/h14H,3-13,20H2,1-2H3
InChIKeyLSRGTRYRYJNKSD-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.34
Rot. Bonds8

About 1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753679) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753679
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCCN(CCCC)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H31F3N2/c1-3-5-11-21(12-6-4-2)15(13-20)9-7-14(8-10-15)16(17,18)19/h14H,3-13,20H2,1-2H3
InChIKeyLSRGTRYRYJNKSD-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753679) is 1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine is CCCCN(CCCC)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is LSRGTRYRYJNKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-3-5-11-21(12-6-4-2)15(13-20)9-7-14(8-10-15)16(17,18)19/h14H,3-13,20H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-dibutyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).