2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine

C17H31N3 — CID 81025118

IUPAC2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCn1cc(CC2CCCCCC2CNC(C)(C)C)cn1
InChIInChI=1S/C17H31N3/c1-17(2,3)18-12-16-9-7-5-6-8-15(16)10-14-11-19-20(4)13-14/h11,13,15-16,18H,5-10,12H2,1-4H3
InChIKeyDPDXGURBGKELPZ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.55
Rot. Bonds4

About 2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine

2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine (PubChem CID 81025118) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine
PubChem CID81025118
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCn1cc(CC2CCCCCC2CNC(C)(C)C)cn1
InChIInChI=1S/C17H31N3/c1-17(2,3)18-12-16-9-7-5-6-8-15(16)10-14-11-19-20(4)13-14/h11,13,15-16,18H,5-10,12H2,1-4H3
InChIKeyDPDXGURBGKELPZ-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81028492
2-methyl-N-[[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81028498
2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 103014471
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine
CID 103020041
N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82930487
2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 80689417
2-[(1-methylpyrazol-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62127989
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103019952
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014439
2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927615
2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81035080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine (CID 81025118) is 2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine is Cn1cc(CC2CCCCCC2CNC(C)(C)C)cn1.
What is the InChIKey of 2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The InChIKey is DPDXGURBGKELPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-17(2,3)18-12-16-9-7-5-6-8-15(16)10-14-11-19-20(4)13-14/h11,13,15-16,18H,5-10,12H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine?
2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 81025118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).