1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C15H25F3N2 — CID 64755328

IUPAC1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNCC1(N(CC2CC2)C2CC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2/c16-15(17,18)12-5-7-14(10-19,8-6-12)20(13-3-4-13)9-11-1-2-11/h11-13H,1-10,19H2
InChIKeyZQVFNETVWQJHGA-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.31
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755328) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755328
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNCC1(N(CC2CC2)C2CC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2/c16-15(17,18)12-5-7-14(10-19,8-6-12)20(13-3-4-13)9-11-1-2-11/h11-13H,1-10,19H2
InChIKeyZQVFNETVWQJHGA-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755328) is 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is NCC1(N(CC2CC2)C2CC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is ZQVFNETVWQJHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c16-15(17,18)12-5-7-14(10-19,8-6-12)20(13-3-4-13)9-11-1-2-11/h11-13H,1-10,19H2.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 290.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).