N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine

C13H23N3 — CID 115716332

IUPACN-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCC(NCCCc1cnn(C)c1)C1(C)CC1
InChIInChI=1S/C13H23N3/c1-11(13(2)6-7-13)14-8-4-5-12-9-15-16(3)10-12/h9-11,14H,4-8H2,1-3H3
InChIKeyVYQMLKPHQNIJCQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds6

About N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine

N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 115716332) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID115716332
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCC(NCCCc1cnn(C)c1)C1(C)CC1
InChIInChI=1S/C13H23N3/c1-11(13(2)6-7-13)14-8-4-5-12-9-15-16(3)10-12/h9-11,14H,4-8H2,1-3H3
InChIKeyVYQMLKPHQNIJCQ-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115716328
1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 115867879
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798044
N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708660
1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629143
4-(4-chloropentyl)-1-methylpyrazole
CID 64514682
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 97231371
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 80689060
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 97231363
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 75427882

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 115716332) is N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine is CC(NCCCc1cnn(C)c1)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is VYQMLKPHQNIJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(13(2)6-7-13)14-8-4-5-12-9-15-16(3)10-12/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine?
N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 115716332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).