N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine

C17H24N4 — CID 177371616

IUPACN-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine
SMILESc1ccc(Cn2cc(CNC3CCCCCC3)nn2)cc1
InChIInChI=1S/C17H24N4/c1-2-7-11-16(10-6-1)18-12-17-14-21(20-19-17)13-15-8-4-3-5-9-15/h3-5,8-9,14,16,18H,1-2,6-7,10-13H2
InChIKeyONMCHNHOMQZLSO-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.14
Rot. Bonds5

About N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine

N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine (PubChem CID 177371616) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine
PubChem CID177371616
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine
SMILESc1ccc(Cn2cc(CNC3CCCCCC3)nn2)cc1
InChIInChI=1S/C17H24N4/c1-2-7-11-16(10-6-1)18-12-17-14-21(20-19-17)13-15-8-4-3-5-9-15/h3-5,8-9,14,16,18H,1-2,6-7,10-13H2
InChIKeyONMCHNHOMQZLSO-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine?
The IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine (CID 177371616) is N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine is c1ccc(Cn2cc(CNC3CCCCCC3)nn2)cc1.
What is the InChIKey of N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine?
The InChIKey is ONMCHNHOMQZLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-7-11-16(10-6-1)18-12-17-14-21(20-19-17)13-15-8-4-3-5-9-15/h3-5,8-9,14,16,18H,1-2,6-7,10-13H2.
What are the key properties of N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine?
N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine has a molecular weight of 284.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine is sourced from PubChem (CID 177371616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).