N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine

C17H32N4 — CID 103573232

IUPACN-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine
SMILESCCCn1cc(C2C(CNC(C)C)CCCCN2C)cn1
InChIInChI=1S/C17H32N4/c1-5-9-21-13-16(12-19-21)17-15(11-18-14(2)3)8-6-7-10-20(17)4/h12-15,17-18H,5-11H2,1-4H3
InChIKeyNCXROIGSDDINHX-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.06
Rot. Bonds6

About N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine

N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine (PubChem CID 103573232) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine
PubChem CID103573232
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine
SMILESCCCn1cc(C2C(CNC(C)C)CCCCN2C)cn1
InChIInChI=1S/C17H32N4/c1-5-9-21-13-16(12-19-21)17-15(11-18-14(2)3)8-6-7-10-20(17)4/h12-15,17-18H,5-11H2,1-4H3
InChIKeyNCXROIGSDDINHX-UHFFFAOYSA-N
XLogP3.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]ethanamine
CID 103573230
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine
CID 81017644
N-[[1-methyl-2-(3-propylimidazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 66131375
N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine
CID 114557739
1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 103570717
N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine
CID 79584333
1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 103570754
N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine
CID 81025706
N-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 114075931
N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 79977325
N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
CID 81034337
N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 115525468

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine (CID 103573232) is N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine is CCCn1cc(C2C(CNC(C)C)CCCCN2C)cn1.
What is the InChIKey of N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine?
The InChIKey is NCXROIGSDDINHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-9-21-13-16(12-19-21)17-15(11-18-14(2)3)8-6-7-10-20(17)4/h12-15,17-18H,5-11H2,1-4H3.
What are the key properties of N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine?
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 103573232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).