1-propan-2-yloxypropan-2-imine

C6H13NO — CID 134536644

IUPAC1-propan-2-yloxypropan-2-imine
SMILES[H]/N=C(\C)COC(C)C
InChIInChI=1S/C6H13NO/c1-5(2)8-4-6(3)7/h5,7H,4H2,1-3H3/b7-6+
InChIKeyJMIGRUZIIBAGAK-VOTSOKGWSA-N
MW115.18 g/mol
LogP1.45
Rot. Bonds3

About 1-propan-2-yloxypropan-2-imine

1-propan-2-yloxypropan-2-imine (PubChem CID 134536644) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-propan-2-yloxypropan-2-imine.

Molecular Properties

Compound Name1-propan-2-yloxypropan-2-imine
PubChem CID134536644
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-propan-2-yloxypropan-2-imine
SMILES[H]/N=C(\C)COC(C)C
InChIInChI=1S/C6H13NO/c1-5(2)8-4-6(3)7/h5,7H,4H2,1-3H3/b7-6+
InChIKeyJMIGRUZIIBAGAK-VOTSOKGWSA-N
XLogP1.45
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Ethoxy-1,1,1-trifluorobutan-2-imine
CID 174437775
Propan-2-yl ethanimidate
CID 12088506
1-Methoxypropan-2-imine
CID 20069403
1-Sec-butoxy-ethylidene-amine
CID 24973043
1-Propoxypropan-2-imine
CID 56988353
1-Ethoxypropan-2-imine
CID 59034312
Isopropyl ethanimidate hydrochloride
CID 85978340
3-Methoxybutan-2-imine
CID 90191917
1-(3-Methyloxiran-2-yl)ethanimine
CID 90929945
2-Ethoxycyclobutan-1-imine
CID 90996609
Propan-2-yl propanimidate
CID 101172104
(3R)-3-methoxybutan-2-imine
CID 123182755

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxypropan-2-imine?
The IUPAC name of 1-propan-2-yloxypropan-2-imine (CID 134536644) is 1-propan-2-yloxypropan-2-imine.
What is the SMILES notation for 1-propan-2-yloxypropan-2-imine?
The canonical SMILES for 1-propan-2-yloxypropan-2-imine is [H]/N=C(\C)COC(C)C.
What is the InChIKey of 1-propan-2-yloxypropan-2-imine?
The InChIKey is JMIGRUZIIBAGAK-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)8-4-6(3)7/h5,7H,4H2,1-3H3/b7-6+.
What are the key properties of 1-propan-2-yloxypropan-2-imine?
1-propan-2-yloxypropan-2-imine has a molecular weight of 115.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxypropan-2-imine is sourced from PubChem (CID 134536644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).