4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine

C12H21N3O — CID 106007760

IUPAC4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine
SMILESCC(C)OCCCCNCc1cnccn1
InChIInChI=1S/C12H21N3O/c1-11(2)16-8-4-3-5-13-9-12-10-14-6-7-15-12/h6-7,10-11,13H,3-5,8-9H2,1-2H3
InChIKeyDNEANOCTKIISAP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.77
Rot. Bonds8

About 4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine

4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine (PubChem CID 106007760) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine
PubChem CID106007760
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine
SMILESCC(C)OCCCCNCc1cnccn1
InChIInChI=1S/C12H21N3O/c1-11(2)16-8-4-3-5-13-9-12-10-14-6-7-15-12/h6-7,10-11,13H,3-5,8-9H2,1-2H3
InChIKeyDNEANOCTKIISAP-UHFFFAOYSA-N
XLogP1.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
CID 62762910
6-(pyrazin-2-ylmethylamino)hexan-1-ol
CID 103846289
3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 63983825
N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
CID 83960493
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
CID 17206477
2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine
CID 79548304
3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine
CID 62583458
3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 62758491
3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
CID 113381771
2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile
CID 62763078
4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine
CID 106009810
2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine
CID 115405977

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine?
The IUPAC name of 4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine (CID 106007760) is 4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine is CC(C)OCCCCNCc1cnccn1.
What is the InChIKey of 4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine?
The InChIKey is DNEANOCTKIISAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2)16-8-4-3-5-13-9-12-10-14-6-7-15-12/h6-7,10-11,13H,3-5,8-9H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine?
4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106007760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).