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

C11H21N3 — CID 82871999

IUPACN-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCCNCC(C)(C)Cc1ccn(C)n1
InChIInChI=1S/C11H21N3/c1-5-12-9-11(2,3)8-10-6-7-14(4)13-10/h6-7,12H,5,8-9H2,1-4H3
InChIKeyRUNRJAMXKSXILR-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.60
Rot. Bonds5

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

N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine (PubChem CID 82871999) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
PubChem CID82871999
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCCNCC(C)(C)Cc1ccn(C)n1
InChIInChI=1S/C11H21N3/c1-5-12-9-11(2,3)8-10-6-7-14(4)13-10/h6-7,12H,5,8-9H2,1-4H3
InChIKeyRUNRJAMXKSXILR-UHFFFAOYSA-N
XLogP1.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83160224
3-(1-cyclopentylpyrazol-3-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 64777905
N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882063
N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82870837
3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82872132
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine
CID 82870607
2,2-dimethyl-3-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-1-amine
CID 64778102
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid
CID 82869291
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116565256
N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 83159652
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine (CID 82871999) is N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine is CCNCC(C)(C)Cc1ccn(C)n1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is RUNRJAMXKSXILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-12-9-11(2,3)8-10-6-7-14(4)13-10/h6-7,12H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 82871999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).