N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine

C17H29N3 — CID 103020041

IUPACN-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine
SMILESCn1cc(CCC2CCCCCC2CNC2CC2)cn1
InChIInChI=1S/C17H29N3/c1-20-13-14(11-19-20)7-8-15-5-3-2-4-6-16(15)12-18-17-9-10-17/h11,13,15-18H,2-10,12H2,1H3
InChIKeyKASCODGLOHTHRF-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.30
Rot. Bonds6

About N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine

N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine (PubChem CID 103020041) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine
PubChem CID103020041
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine
SMILESCn1cc(CCC2CCCCCC2CNC2CC2)cn1
InChIInChI=1S/C17H29N3/c1-20-13-14(11-19-20)7-8-15-5-3-2-4-6-16(15)12-18-17-9-10-17/h11,13,15-18H,2-10,12H2,1H3
InChIKeyKASCODGLOHTHRF-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentyl]methyl]cyclopropanamine
CID 103019932
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103019952
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025118
2-(chloromethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 106365346
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788
2-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103019561
2-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365328
2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927615
N-[2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine
CID 103014322
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine (CID 103020041) is N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine is Cn1cc(CCC2CCCCCC2CNC2CC2)cn1.
What is the InChIKey of N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine?
The InChIKey is KASCODGLOHTHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-20-13-14(11-19-20)7-8-15-5-3-2-4-6-16(15)12-18-17-9-10-17/h11,13,15-18H,2-10,12H2,1H3.
What are the key properties of N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine?
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine has a molecular weight of 275.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 103020041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).