N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

C15H26F2N4 — CID 105182224

IUPACN-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1CCC(F)(F)CC1
InChIInChI=1S/C15H26F2N4/c1-3-9-18-14(12-5-7-15(16,17)8-6-12)13-11-19-20-21(13)10-4-2/h11-12,14,18H,3-10H2,1-2H3
InChIKeyKCGOGCSAYLJVBO-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.55
Rot. Bonds7

About N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 105182224) has the molecular formula C15H26F2N4 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
PubChem CID105182224
Molecular FormulaC15H26F2N4
Molecular Weight300.40 g/mol
Exact Mass300.21
IUPAC NameN-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1CCC(F)(F)CC1
InChIInChI=1S/C15H26F2N4/c1-3-9-18-14(12-5-7-15(16,17)8-6-12)13-11-19-20-21(13)10-4-2/h11-12,14,18H,3-10H2,1-2H3
InChIKeyKCGOGCSAYLJVBO-UHFFFAOYSA-N
XLogP3.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (CID 105182224) is N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnnn1CCC)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is KCGOGCSAYLJVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N4/c1-3-9-18-14(12-5-7-15(16,17)8-6-12)13-11-19-20-21(13)10-4-2/h11-12,14,18H,3-10H2,1-2H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 300.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105182224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).