3-(4,4-dimethylpentan-2-ylamino)propanal

C10H21NO — CID 58518911

IUPAC3-(4,4-dimethylpentan-2-ylamino)propanal
SMILESCC(CC(C)(C)C)NCCC=O
InChIInChI=1S/C10H21NO/c1-9(8-10(2,3)4)11-6-5-7-12/h7,9,11H,5-6,8H2,1-4H3
InChIKeyLVTCSWHQWYEWET-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds5

About 3-(4,4-dimethylpentan-2-ylamino)propanal

3-(4,4-dimethylpentan-2-ylamino)propanal (PubChem CID 58518911) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(4,4-dimethylpentan-2-ylamino)propanal.

Molecular Properties

Compound Name3-(4,4-dimethylpentan-2-ylamino)propanal
PubChem CID58518911
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(4,4-dimethylpentan-2-ylamino)propanal
SMILESCC(CC(C)(C)C)NCCC=O
InChIInChI=1S/C10H21NO/c1-9(8-10(2,3)4)11-6-5-7-12/h7,9,11H,5-6,8H2,1-4H3
InChIKeyLVTCSWHQWYEWET-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpentan-2-ylamino)propanal?
The IUPAC name of 3-(4,4-dimethylpentan-2-ylamino)propanal (CID 58518911) is 3-(4,4-dimethylpentan-2-ylamino)propanal.
What is the SMILES notation for 3-(4,4-dimethylpentan-2-ylamino)propanal?
The canonical SMILES for 3-(4,4-dimethylpentan-2-ylamino)propanal is CC(CC(C)(C)C)NCCC=O.
What is the InChIKey of 3-(4,4-dimethylpentan-2-ylamino)propanal?
The InChIKey is LVTCSWHQWYEWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(8-10(2,3)4)11-6-5-7-12/h7,9,11H,5-6,8H2,1-4H3.
What are the key properties of 3-(4,4-dimethylpentan-2-ylamino)propanal?
3-(4,4-dimethylpentan-2-ylamino)propanal has a molecular weight of 171.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpentan-2-ylamino)propanal is sourced from PubChem (CID 58518911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).