1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine

C17H32N4 — CID 79063591

IUPAC1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCNC(c1ccnn1CC)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H32N4/c1-6-18-16(15-10-12-19-21(15)7-2)17(20(4)5)11-8-9-14(3)13-17/h10,12,14,16,18H,6-9,11,13H2,1-5H3
InChIKeyNRQPHROEHJGQDU-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.06
Rot. Bonds6

About 1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79063591) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79063591
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCNC(c1ccnn1CC)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H32N4/c1-6-18-16(15-10-12-19-21(15)7-2)17(20(4)5)11-8-9-14(3)13-17/h10,12,14,16,18H,6-9,11,13H2,1-5H3
InChIKeyNRQPHROEHJGQDU-UHFFFAOYSA-N
XLogP3.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 63961604
CID 63961604
CID 50989017
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CID 50989018
CID 50989018
CID 82414416
CID 82414416
CID 82414451
CID 82414451
CID 92130993
CID 92130993
CID 165595799
CID 165595799
CID 64504110
CID 64504110
CID 75355391
CID 75355391
CID 119031225
CID 119031225
CID 178190376
CID 178190376
CID 50944310
CID 50944310

Frequently Asked Questions

What is the IUPAC name of 1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79063591) is 1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine is CCNC(c1ccnn1CC)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is NRQPHROEHJGQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-18-16(15-10-12-19-21(15)7-2)17(20(4)5)11-8-9-14(3)13-17/h10,12,14,16,18H,6-9,11,13H2,1-5H3.
What are the key properties of 1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79063591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).