N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde

C15H27N3O — CID 155712860

IUPACN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde
SMILESCN(CCCN)CCCN.O=CCc1ccccc1
InChIInChI=1S/C8H8O.C7H19N3/c9-7-6-8-4-2-1-3-5-8;1-10(6-2-4-8)7-3-5-9/h1-5,7H,6H2;2-9H2,1H3
InChIKeyQDYWXTZNQKDUNG-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.04
Rot. Bonds8

About N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde

N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde (PubChem CID 155712860) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde
PubChem CID155712860
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde
SMILESCN(CCCN)CCCN.O=CCc1ccccc1
InChIInChI=1S/C8H8O.C7H19N3/c9-7-6-8-4-2-1-3-5-8;1-10(6-2-4-8)7-3-5-9/h1-5,7H,6H2;2-9H2,1H3
InChIKeyQDYWXTZNQKDUNG-UHFFFAOYSA-N
XLogP1.04
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;2-phenylacetaldehyde
CID 87974312
N-methylmethanamine;2-phenylacetaldehyde
CID 175168726
lithium;hydride;2-phenylacetaldehyde
CID 173089556
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-(3-aminopropyl)-3-[benzyl(methyl)amino]-N-methylpropanamide
CID 43253618
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917
butanal;2-phenylacetaldehyde
CID 161135702
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
methyl hydrogen carbonate;2-phenylacetaldehyde
CID 175092622

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde?
The IUPAC name of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde (CID 155712860) is N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde.
What is the SMILES notation for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde?
The canonical SMILES for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde is CN(CCCN)CCCN.O=CCc1ccccc1.
What is the InChIKey of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde?
The InChIKey is QDYWXTZNQKDUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C7H19N3/c9-7-6-8-4-2-1-3-5-8;1-10(6-2-4-8)7-3-5-9/h1-5,7H,6H2;2-9H2,1H3.
What are the key properties of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde?
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde has a molecular weight of 265.40 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde is sourced from PubChem (CID 155712860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).