(1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine

C10H17N3 — CID 130039914

IUPAC(1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
SMILESCC(C)(C)C[C@H](N)c1cnccn1
InChIInChI=1S/C10H17N3/c1-10(2,3)6-8(11)9-7-12-4-5-13-9/h4-5,7-8H,6,11H2,1-3H3/t8-/m0/s1
InChIKeyUDHZQUYWNVJPMX-QMMMGPOBSA-N
MW179.27 g/mol
LogP1.91
Rot. Bonds2

About (1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine

(1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine (PubChem CID 130039914) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound Name(1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
PubChem CID130039914
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
SMILESCC(C)(C)C[C@H](N)c1cnccn1
InChIInChI=1S/C10H17N3/c1-10(2,3)6-8(11)9-7-12-4-5-13-9/h4-5,7-8H,6,11H2,1-3H3/t8-/m0/s1
InChIKeyUDHZQUYWNVJPMX-QMMMGPOBSA-N
XLogP1.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
CID 99737676
1-pyrazin-2-ylnonan-1-amine
CID 62600507
1-pyrazin-2-yltridecan-1-amine
CID 62601846
4-pyrazin-2-ylpentan-2-amine
CID 64721175
2-methoxy-2-methyl-1-pyrazin-2-ylbutan-1-amine
CID 116757517
6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol
CID 130715071
N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine
CID 115860523
4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192450
(1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine
CID 55293918
N,4,4-trimethyl-1-pyrazin-2-ylpentan-1-amine
CID 62601001
2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine
CID 116661377
2-(1-methylpyrazol-4-yl)-1-pyrazin-2-ylethanamine
CID 62125921

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of (1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine (CID 130039914) is (1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for (1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for (1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine is CC(C)(C)C[C@H](N)c1cnccn1.
What is the InChIKey of (1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is UDHZQUYWNVJPMX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)6-8(11)9-7-12-4-5-13-9/h4-5,7-8H,6,11H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine?
(1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 130039914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).