N-(3-pyrazol-1-ylpropyl)octan-2-amine

C14H27N3 — CID 112700088

IUPACN-(3-pyrazol-1-ylpropyl)octan-2-amine
SMILESCCCCCCC(C)NCCCn1cccn1
InChIInChI=1S/C14H27N3/c1-3-4-5-6-9-14(2)15-10-7-12-17-13-8-11-16-17/h8,11,13-15H,3-7,9-10,12H2,1-2H3
InChIKeyOLTWMGHTJPPXRD-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.22
Rot. Bonds10

About N-(3-pyrazol-1-ylpropyl)octan-2-amine

N-(3-pyrazol-1-ylpropyl)octan-2-amine (PubChem CID 112700088) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)octan-2-amine.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)octan-2-amine
PubChem CID112700088
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-(3-pyrazol-1-ylpropyl)octan-2-amine
SMILESCCCCCCC(C)NCCCn1cccn1
InChIInChI=1S/C14H27N3/c1-3-4-5-6-9-14(2)15-10-7-12-17-13-8-11-16-17/h8,11,13-15H,3-7,9-10,12H2,1-2H3
InChIKeyOLTWMGHTJPPXRD-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.22
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

N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
1-pentylpyrazole;propane
CID 156859541
N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977569
1-[2-(heptan-2-ylamino)ethyl]pyrimidin-2-one
CID 62562236
3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine
CID 115708657
N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
CID 113223084
(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine
CID 97229635

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)octan-2-amine?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)octan-2-amine (CID 112700088) is N-(3-pyrazol-1-ylpropyl)octan-2-amine.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)octan-2-amine?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)octan-2-amine is CCCCCCC(C)NCCCn1cccn1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)octan-2-amine?
The InChIKey is OLTWMGHTJPPXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-4-5-6-9-14(2)15-10-7-12-17-13-8-11-16-17/h8,11,13-15H,3-7,9-10,12H2,1-2H3.
What are the key properties of N-(3-pyrazol-1-ylpropyl)octan-2-amine?
N-(3-pyrazol-1-ylpropyl)octan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)octan-2-amine is sourced from PubChem (CID 112700088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).