4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal

C18H38N2O — CID 166885394

IUPAC4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal
SMILESCC(C)CNC(C)(C)CC(C)(C)NC(C)(C)CC(C)C=O
InChIInChI=1S/C18H38N2O/c1-14(2)11-19-17(6,7)13-18(8,9)20-16(4,5)10-15(3)12-21/h12,14-15,19-20H,10-11,13H2,1-9H3
InChIKeyMZWMWXHGWREXOM-UHFFFAOYSA-N
MW298.52 g/mol
LogP3.77
Rot. Bonds10

About 4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal

4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal (PubChem CID 166885394) has the molecular formula C18H38N2O and a molecular weight of 298.52 g/mol. Its IUPAC name is 4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal.

Molecular Properties

Compound Name4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal
PubChem CID166885394
Molecular FormulaC18H38N2O
Molecular Weight298.52 g/mol
Exact Mass298.30
IUPAC Name4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal
SMILESCC(C)CNC(C)(C)CC(C)(C)NC(C)(C)CC(C)C=O
InChIInChI=1S/C18H38N2O/c1-14(2)11-19-17(6,7)13-18(8,9)20-16(4,5)10-15(3)12-21/h12,14-15,19-20H,10-11,13H2,1-9H3
InChIKeyMZWMWXHGWREXOM-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,4-trimethyl-N-(2-methylpropyl)hexan-2-amine
CID 137458750
2,4,4-trimethylpentanal;2,2,4-trimethylpentane
CID 172777004
1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine
CID 130728282
tert-butyl N-(2-methyl-3-oxopropyl)carbamate
CID 19791000
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
2,4,4,7-tetramethyloct-6-enal
CID 88919833
2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine
CID 106114726
CID 175939227
CID 175939227
3,3,3-trifluoro-2-methyl-2-(2-methylpropylamino)propan-1-ol
CID 106523433
N,2-dimethylpropan-2-amine;2-methylpentanal
CID 153346269
2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine
CID 64665441
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976

Frequently Asked Questions

What is the IUPAC name of 4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal?
The IUPAC name of 4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal (CID 166885394) is 4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal.
What is the SMILES notation for 4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal?
The canonical SMILES for 4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal is CC(C)CNC(C)(C)CC(C)(C)NC(C)(C)CC(C)C=O.
What is the InChIKey of 4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal?
The InChIKey is MZWMWXHGWREXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-14(2)11-19-17(6,7)13-18(8,9)20-16(4,5)10-15(3)12-21/h12,14-15,19-20H,10-11,13H2,1-9H3.
What are the key properties of 4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal?
4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal has a molecular weight of 298.52 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,4-dimethyl-4-(2-methylpropylamino)pentan-2-yl]amino]-2,4-dimethylpentanal is sourced from PubChem (CID 166885394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).