1-(propylamino)cyclopropane-1-carbaldehyde

C7H13NO — CID 174589719

IUPAC1-(propylamino)cyclopropane-1-carbaldehyde
SMILESCCCNC1(C=O)CC1
InChIInChI=1S/C7H13NO/c1-2-5-8-7(6-9)3-4-7/h6,8H,2-5H2,1H3
InChIKeyHYXOOIVSMNTNDN-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.72
Rot. Bonds4

About 1-(propylamino)cyclopropane-1-carbaldehyde

1-(propylamino)cyclopropane-1-carbaldehyde (PubChem CID 174589719) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(propylamino)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(propylamino)cyclopropane-1-carbaldehyde
PubChem CID174589719
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(propylamino)cyclopropane-1-carbaldehyde
SMILESCCCNC1(C=O)CC1
InChIInChI=1S/C7H13NO/c1-2-5-8-7(6-9)3-4-7/h6,8H,2-5H2,1H3
InChIKeyHYXOOIVSMNTNDN-UHFFFAOYSA-N
XLogP0.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(propylamino)cyclopropane-1-carbaldehyde (CID 174589719) is 1-(propylamino)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(propylamino)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(propylamino)cyclopropane-1-carbaldehyde is CCCNC1(C=O)CC1.
What is the InChIKey of 1-(propylamino)cyclopropane-1-carbaldehyde?
The InChIKey is HYXOOIVSMNTNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-5-8-7(6-9)3-4-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-(propylamino)cyclopropane-1-carbaldehyde?
1-(propylamino)cyclopropane-1-carbaldehyde has a molecular weight of 127.19 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 174589719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).