N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine

C14H27N3 — CID 114282093

IUPACN-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine
SMILESCCNC(c1cnn(C)c1)C(C(C)C)C(C)C
InChIInChI=1S/C14H27N3/c1-7-15-14(12-8-16-17(6)9-12)13(10(2)3)11(4)5/h8-11,13-15H,7H2,1-6H3
InChIKeyUYIFRZXOSWSLOC-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.00
Rot. Bonds6

About N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine

N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine (PubChem CID 114282093) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine
PubChem CID114282093
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine
SMILESCCNC(c1cnn(C)c1)C(C(C)C)C(C)C
InChIInChI=1S/C14H27N3/c1-7-15-14(12-8-16-17(6)9-12)13(10(2)3)11(4)5/h8-11,13-15H,7H2,1-6H3
InChIKeyUYIFRZXOSWSLOC-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 79495409
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399
N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine
CID 116773030
2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine
CID 114246305
2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetonitrile
CID 43115049
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 115808764
N,2-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 43485884
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
N-ethyl-1-(1-methylpyrazol-4-yl)pent-3-yn-1-amine
CID 65200186
N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808792
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 65195392

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine (CID 114282093) is N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine is CCNC(c1cnn(C)c1)C(C(C)C)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine?
The InChIKey is UYIFRZXOSWSLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-15-14(12-8-16-17(6)9-12)13(10(2)3)11(4)5/h8-11,13-15H,7H2,1-6H3.
What are the key properties of N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine?
N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 114282093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).