N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine

C17H29N3 — CID 116662180

IUPACN-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)c1ccnn1CCC
InChIInChI=1S/C17H29N3/c1-3-11-18-16(14-15-8-6-5-7-9-15)17-10-12-19-20(17)13-4-2/h8,10,12,16,18H,3-7,9,11,13-14H2,1-2H3
InChIKeyUEFUDWVOHYNNSU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.22
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine

N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 116662180) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID116662180
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)c1ccnn1CCC
InChIInChI=1S/C17H29N3/c1-3-11-18-16(14-15-8-6-5-7-9-15)17-10-12-19-20(17)13-4-2/h8,10,12,16,18H,3-7,9,11,13-14H2,1-2H3
InChIKeyUEFUDWVOHYNNSU-UHFFFAOYSA-N
XLogP4.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.22
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-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63976175
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 114660901
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 114660904
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63975942
N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 105148237
3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857679
N-[2-(cyclohexen-1-yl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 116662088
3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine
CID 116662156
N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 116662001
2,2-dimethyl-N-propyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63974473
2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine
CID 114197720

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine (CID 116662180) is N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(CC1=CCCCC1)c1ccnn1CCC.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is UEFUDWVOHYNNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-11-18-16(14-15-8-6-5-7-9-15)17-10-12-19-20(17)13-4-2/h8,10,12,16,18H,3-7,9,11,13-14H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 116662180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).