4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde

C15H19NO — CID 64520182

IUPAC4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1N(CC1CC1)C1CC1
InChIInChI=1S/C15H19NO/c1-11-8-13(10-17)4-7-15(11)16(14-5-6-14)9-12-2-3-12/h4,7-8,10,12,14H,2-3,5-6,9H2,1H3
InChIKeyKWXKFIWAENRDRL-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.19
Rot. Bonds5

About 4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde

4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde (PubChem CID 64520182) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde
PubChem CID64520182
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1N(CC1CC1)C1CC1
InChIInChI=1S/C15H19NO/c1-11-8-13(10-17)4-7-15(11)16(14-5-6-14)9-12-2-3-12/h4,7-8,10,12,14H,2-3,5-6,9H2,1H3
InChIKeyKWXKFIWAENRDRL-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
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 4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde?
The IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde (CID 64520182) is 4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde.
What is the SMILES notation for 4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde?
The canonical SMILES for 4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde is Cc1cc(C=O)ccc1N(CC1CC1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde?
The InChIKey is KWXKFIWAENRDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-8-13(10-17)4-7-15(11)16(14-5-6-14)9-12-2-3-12/h4,7-8,10,12,14H,2-3,5-6,9H2,1H3.
What are the key properties of 4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde?
4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde has a molecular weight of 229.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzaldehyde is sourced from PubChem (CID 64520182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).