N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine

C11H21N3 — CID 104696534

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine
SMILESCCCCCCNC(C)c1cn[nH]c1
InChIInChI=1S/C11H21N3/c1-3-4-5-6-7-12-10(2)11-8-13-14-9-11/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyXUGKKYCPDPTHLF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.64
Rot. Bonds7

About N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine

N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine (PubChem CID 104696534) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine
PubChem CID104696534
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine
SMILESCCCCCCNC(C)c1cn[nH]c1
InChIInChI=1S/C11H21N3/c1-3-4-5-6-7-12-10(2)11-8-13-14-9-11/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyXUGKKYCPDPTHLF-UHFFFAOYSA-N
XLogP2.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 104696536
(2S)-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]octan-2-amine
CID 124672844
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-[1-(4-iodophenyl)ethyl]hexan-1-amine
CID 43769665
N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
CID 81359555
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine (CID 104696534) is N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine is CCCCCCNC(C)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine?
The InChIKey is XUGKKYCPDPTHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-4-5-6-7-12-10(2)11-8-13-14-9-11/h8-10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine?
N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 104696534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).