2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal

C14H27NO — CID 62276803

IUPAC2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal
SMILESCCC(C=O)(CC)CN(CC(C)C)C1CC1
InChIInChI=1S/C14H27NO/c1-5-14(6-2,11-16)10-15(9-12(3)4)13-7-8-13/h11-13H,5-10H2,1-4H3
InChIKeyLNPZGIHCICHTLN-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds8

About 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal

2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal (PubChem CID 62276803) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal.

Molecular Properties

Compound Name2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal
PubChem CID62276803
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal
SMILESCCC(C=O)(CC)CN(CC(C)C)C1CC1
InChIInChI=1S/C14H27NO/c1-5-14(6-2,11-16)10-15(9-12(3)4)13-7-8-13/h11-13H,5-10H2,1-4H3
InChIKeyLNPZGIHCICHTLN-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal
CID 62277419
2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal
CID 107871114
N-cyclopropyl-2,2-diethyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62260593
N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62258875
N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260416
N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555882
2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal
CID 62275844
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276800
2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal
CID 62276772
3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827129
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal
CID 107401503
ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate
CID 63911546

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal?
The IUPAC name of 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal (CID 62276803) is 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal.
What is the SMILES notation for 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal?
The canonical SMILES for 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal is CCC(C=O)(CC)CN(CC(C)C)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal?
The InChIKey is LNPZGIHCICHTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-14(6-2,11-16)10-15(9-12(3)4)13-7-8-13/h11-13H,5-10H2,1-4H3.
What are the key properties of 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal?
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal has a molecular weight of 225.38 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal is sourced from PubChem (CID 62276803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).