1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde

C7H15N3O — CID 174408581

IUPAC1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde
SMILESCNC1(C=O)CC1(NC)NC
InChIInChI=1S/C7H15N3O/c1-8-6(5-11)4-7(6,9-2)10-3/h5,8-10H,4H2,1-3H3
InChIKeyVKEHCPOIEIMSPO-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.32
Rot. Bonds4

About 1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde

1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde (PubChem CID 174408581) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde
PubChem CID174408581
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde
SMILESCNC1(C=O)CC1(NC)NC
InChIInChI=1S/C7H15N3O/c1-8-6(5-11)4-7(6,9-2)10-3/h5,8-10H,4H2,1-3H3
InChIKeyVKEHCPOIEIMSPO-UHFFFAOYSA-N
XLogP-1.32
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde
CID 123460856
2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal
CID 146204224
N,3,7-trimethyltricyclo[3.3.0.03,7]octan-1-amine
CID 44587971
1-N,3-N,1,3-tetramethylcyclobutane-1,3-diamine
CID 142585544
cyclopropane;N-methylformamide
CID 145062498
cyclobutane;N-methylformamide
CID 144809083
1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde
CID 144732872
1,3,5-tris(methylamino)cyclohexane-1,3,5-tricarboxylic acid
CID 174766010
1-(methylaminomethyl)cyclopentane-1-carbaldehyde
CID 123732228
1-N,1-N',2-N-trimethyl-2-N'-silylcyclohexane-1,1,2,2-tetramine
CID 123155717
formyl chloride;N-methylmethanamine
CID 159076445
N-methylformamide;titanium
CID 175536868

Frequently Asked Questions

What is the IUPAC name of 1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde?
The IUPAC name of 1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde (CID 174408581) is 1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde is CNC1(C=O)CC1(NC)NC.
What is the InChIKey of 1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde?
The InChIKey is VKEHCPOIEIMSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-8-6(5-11)4-7(6,9-2)10-3/h5,8-10H,4H2,1-3H3.
What are the key properties of 1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde?
1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde has a molecular weight of 157.22 g/mol, XLogP of -1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 174408581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).