N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine

C13H21N3 — CID 115693401

IUPACN-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine
SMILESCC(C)n1cc(CNC2C=CCCC2)cn1
InChIInChI=1S/C13H21N3/c1-11(2)16-10-12(9-15-16)8-14-13-6-4-3-5-7-13/h4,6,9-11,13-14H,3,5,7-8H2,1-2H3
InChIKeyWBUNKSRAEHYPJD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.66
Rot. Bonds4

About N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine

N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine (PubChem CID 115693401) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine
PubChem CID115693401
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine
SMILESCC(C)n1cc(CNC2C=CCCC2)cn1
InChIInChI=1S/C13H21N3/c1-11(2)16-10-12(9-15-16)8-14-13-6-4-3-5-7-13/h4,6,9-11,13-14H,3,5,7-8H2,1-2H3
InChIKeyWBUNKSRAEHYPJD-UHFFFAOYSA-N
XLogP2.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696399
2-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopropan-1-amine
CID 115623028
1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 113239717
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol
CID 107908377
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
4-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 103953716
(1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine
CID 122395364
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 103724220
N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 107887002
3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 113243338

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine (CID 115693401) is N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine is CC(C)n1cc(CNC2C=CCCC2)cn1.
What is the InChIKey of N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine?
The InChIKey is WBUNKSRAEHYPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11(2)16-10-12(9-15-16)8-14-13-6-4-3-5-7-13/h4,6,9-11,13-14H,3,5,7-8H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine?
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 115693401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).