N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine

C13H25N3 — CID 82876652

IUPACN-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
SMILESCCNC(Cc1ccn(C)n1)CC(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-14-12(10-13(2,3)4)9-11-7-8-16(5)15-11/h7-8,12,14H,6,9-10H2,1-5H3
InChIKeyRTEKSUZQISAKQT-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds5

About N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine

N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine (PubChem CID 82876652) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
PubChem CID82876652
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
SMILESCCNC(Cc1ccn(C)n1)CC(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-14-12(10-13(2,3)4)9-11-7-8-16(5)15-11/h7-8,12,14H,6,9-10H2,1-5H3
InChIKeyRTEKSUZQISAKQT-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 105175167
1-cyclopropyl-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876237
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82875994
N-ethyl-1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-amine
CID 82876645
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82877543
1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 82877837
N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine
CID 82870752
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105175015
3,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 105025716
N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 105175045
N-ethyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876707

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine (CID 82876652) is N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine is CCNC(Cc1ccn(C)n1)CC(C)(C)C.
What is the InChIKey of N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine?
The InChIKey is RTEKSUZQISAKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-14-12(10-13(2,3)4)9-11-7-8-16(5)15-11/h7-8,12,14H,6,9-10H2,1-5H3.
What are the key properties of N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine?
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine is sourced from PubChem (CID 82876652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).