N-(cyclopropylmethoxy)propan-2-imine

C7H13NO — CID 21334171

IUPACN-(cyclopropylmethoxy)propan-2-imine
SMILESCC(C)=NOCC1CC1
InChIInChI=1S/C7H13NO/c1-6(2)8-9-5-7-3-4-7/h7H,3-5H2,1-2H3
InChIKeyZWPWKPLSBWFRTA-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.81
Rot. Bonds3

About N-(cyclopropylmethoxy)propan-2-imine

N-(cyclopropylmethoxy)propan-2-imine (PubChem CID 21334171) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)propan-2-imine.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)propan-2-imine
PubChem CID21334171
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-(cyclopropylmethoxy)propan-2-imine
SMILESCC(C)=NOCC1CC1
InChIInChI=1S/C7H13NO/c1-6(2)8-9-5-7-3-4-7/h7H,3-5H2,1-2H3
InChIKeyZWPWKPLSBWFRTA-UHFFFAOYSA-N
XLogP1.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)propan-2-imine?
The IUPAC name of N-(cyclopropylmethoxy)propan-2-imine (CID 21334171) is N-(cyclopropylmethoxy)propan-2-imine.
What is the SMILES notation for N-(cyclopropylmethoxy)propan-2-imine?
The canonical SMILES for N-(cyclopropylmethoxy)propan-2-imine is CC(C)=NOCC1CC1.
What is the InChIKey of N-(cyclopropylmethoxy)propan-2-imine?
The InChIKey is ZWPWKPLSBWFRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)8-9-5-7-3-4-7/h7H,3-5H2,1-2H3.
What are the key properties of N-(cyclopropylmethoxy)propan-2-imine?
N-(cyclopropylmethoxy)propan-2-imine has a molecular weight of 127.19 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)propan-2-imine is sourced from PubChem (CID 21334171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).