N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine

C17H32N4 — CID 81035056

IUPACN-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCCCn1ncnc1CC1CCCCCC1CNC(C)C
InChIInChI=1S/C17H32N4/c1-4-10-21-17(19-13-20-21)11-15-8-6-5-7-9-16(15)12-18-14(2)3/h13-16,18H,4-12H2,1-3H3
InChIKeyHJYIQZMGEINSST-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.43
Rot. Bonds7

About N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine

N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine (PubChem CID 81035056) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine
PubChem CID81035056
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCCCn1ncnc1CC1CCCCCC1CNC(C)C
InChIInChI=1S/C17H32N4/c1-4-10-21-17(19-13-20-21)11-15-8-6-5-7-9-16(15)12-18-14(2)3/h13-16,18H,4-12H2,1-3H3
InChIKeyHJYIQZMGEINSST-UHFFFAOYSA-N
XLogP3.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027307
N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025559
1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052
2-(chloromethyl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 106364982
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011017
N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 107059258
2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 81007785
5-[(4-chlorothiolan-3-yl)methyl]-1-propyl-1,2,4-triazole
CID 83190065
[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine
CID 81010403
4-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-one
CID 83261652
N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine
CID 114557739
2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 106780231

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine (CID 81035056) is N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine is CCCn1ncnc1CC1CCCCCC1CNC(C)C.
What is the InChIKey of N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The InChIKey is HJYIQZMGEINSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-10-21-17(19-13-20-21)11-15-8-6-5-7-9-16(15)12-18-14(2)3/h13-16,18H,4-12H2,1-3H3.
What are the key properties of N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine?
N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 81035056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).