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

C16H30N4 — CID 79051106

IUPAC2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(c1cnn(C)c1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H30N4/c1-5-17-15(14-12-18-19(4)13-14)16(2,3)20-10-8-6-7-9-11-20/h12-13,15,17H,5-11H2,1-4H3
InChIKeyUJVDFGDPINMACG-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.73
Rot. Bonds5

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

2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 79051106) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID79051106
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(c1cnn(C)c1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H30N4/c1-5-17-15(14-12-18-19(4)13-14)16(2,3)20-10-8-6-7-9-11-20/h12-13,15,17H,5-11H2,1-4H3
InChIKeyUJVDFGDPINMACG-UHFFFAOYSA-N
XLogP2.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 115808764
N-ethyl-2-methyl-1-(4-methylphenyl)-2-piperidin-1-ylpropan-1-amine
CID 79045339
2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol
CID 79051966
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056070
N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056899
2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056047
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056069
N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine
CID 79045109
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79050671
2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497251
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine (CID 79051106) is 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine is CCNC(c1cnn(C)c1)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is UJVDFGDPINMACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-17-15(14-12-18-19(4)13-14)16(2,3)20-10-8-6-7-9-11-20/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine?
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 79051106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).