N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine

C10H16F3N — CID 64758990

IUPACN-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESC=CCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3N/c1-2-6-14-9-5-3-4-8(7-9)10(11,12)13/h2,8-9,14H,1,3-7H2
InChIKeyDQTDVFZEJOZCBO-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.88
Rot. Bonds3

About N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine

N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758990) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758990
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESC=CCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3N/c1-2-6-14-9-5-3-4-8(7-9)10(11,12)13/h2,8-9,14H,1,3-7H2
InChIKeyDQTDVFZEJOZCBO-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434394
N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754224
N-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757249
1-(aminomethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 65383035
1-(aminomethyl)-N-prop-2-enyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 65384722
N-[3-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-amine
CID 65700864
N-(3-methylbut-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 103522618
N-(3-methylbut-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 103522646
N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104581723
N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104696221
N-but-3-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844773
N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844790

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine (CID 64758990) is N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine is C=CCNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DQTDVFZEJOZCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-2-6-14-9-5-3-4-8(7-9)10(11,12)13/h2,8-9,14H,1,3-7H2.
What are the key properties of N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine?
N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 207.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).