N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine

C14H25F3N2 — CID 66776214

IUPACN-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine
SMILESCCCCCNCC1C2CN(CCC(F)(F)F)CC12
InChIInChI=1S/C14H25F3N2/c1-2-3-4-6-18-8-11-12-9-19(10-13(11)12)7-5-14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyAJYHZVUEZYHHIP-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.90
Rot. Bonds8

About N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine

N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine (PubChem CID 66776214) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine
PubChem CID66776214
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine
SMILESCCCCCNCC1C2CN(CCC(F)(F)F)CC12
InChIInChI=1S/C14H25F3N2/c1-2-3-4-6-18-8-11-12-9-19(10-13(11)12)7-5-14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyAJYHZVUEZYHHIP-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine?
The IUPAC name of N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine (CID 66776214) is N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine.
What is the SMILES notation for N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine?
The canonical SMILES for N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine is CCCCCNCC1C2CN(CCC(F)(F)F)CC12.
What is the InChIKey of N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine?
The InChIKey is AJYHZVUEZYHHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-2-3-4-6-18-8-11-12-9-19(10-13(11)12)7-5-14(15,16)17/h11-13,18H,2-10H2,1H3.
What are the key properties of N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine?
N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine is sourced from PubChem (CID 66776214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).