3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine

C14H24N4 — CID 102986844

IUPAC3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine
SMILESCC(C)CCN(c1nccnc1N)C1CCCC1
InChIInChI=1S/C14H24N4/c1-11(2)7-10-18(12-5-3-4-6-12)14-13(15)16-8-9-17-14/h8-9,11-12H,3-7,10H2,1-2H3,(H2,15,16)
InChIKeyGVQYTLDUKVGVMQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.85
Rot. Bonds5

About 3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine

3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine (PubChem CID 102986844) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine
PubChem CID102986844
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine
SMILESCC(C)CCN(c1nccnc1N)C1CCCC1
InChIInChI=1S/C14H24N4/c1-11(2)7-10-18(12-5-3-4-6-12)14-13(15)16-8-9-17-14/h8-9,11-12H,3-7,10H2,1-2H3,(H2,15,16)
InChIKeyGVQYTLDUKVGVMQ-UHFFFAOYSA-N
XLogP2.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80854897
4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105390159
3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
CID 107058051
5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
CID 104535325
5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 103583405
3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine
CID 102759062
4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105389659
3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile
CID 80510085
3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine
CID 102985640
4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960192
5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 107084638
N-cyclopropyl-3-fluoro-N-(3-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105389656

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine (CID 102986844) is 3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine is CC(C)CCN(c1nccnc1N)C1CCCC1.
What is the InChIKey of 3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine?
The InChIKey is GVQYTLDUKVGVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)7-10-18(12-5-3-4-6-12)14-13(15)16-8-9-17-14/h8-9,11-12H,3-7,10H2,1-2H3,(H2,15,16).
What are the key properties of 3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine?
3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine is sourced from PubChem (CID 102986844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).