N-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine

C14H26F3N — CID 104575086

IUPACN-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(C)(C)C1CCC(CNCCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N/c1-13(2,3)12-6-4-11(5-7-12)10-18-9-8-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyBZDJUXIDHROHQJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.38
Rot. Bonds4

About N-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine

N-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 104575086) has the molecular formula C14H26F3N and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID104575086
Molecular FormulaC14H26F3N
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(C)(C)C1CCC(CNCCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N/c1-13(2,3)12-6-4-11(5-7-12)10-18-9-8-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyBZDJUXIDHROHQJ-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine (CID 104575086) is N-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine is CC(C)(C)C1CCC(CNCCC(F)(F)F)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is BZDJUXIDHROHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N/c1-13(2,3)12-6-4-11(5-7-12)10-18-9-8-14(15,16)17/h11-12,18H,4-10H2,1-3H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine?
N-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 104575086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).