2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal

C14H29NO — CID 62276624

IUPAC2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal
SMILESCCCCCN(CC(C)(C=O)CC)C(C)C
InChIInChI=1S/C14H29NO/c1-6-8-9-10-15(13(3)4)11-14(5,7-2)12-16/h12-13H,6-11H2,1-5H3
InChIKeyGZPDUMPLOJJJRE-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.50
Rot. Bonds9

About 2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal

2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal (PubChem CID 62276624) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal.

Molecular Properties

Compound Name2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal
PubChem CID62276624
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal
SMILESCCCCCN(CC(C)(C=O)CC)C(C)C
InChIInChI=1S/C14H29NO/c1-6-8-9-10-15(13(3)4)11-14(5,7-2)12-16/h12-13H,6-11H2,1-5H3
InChIKeyGZPDUMPLOJJJRE-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
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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Related Compounds

2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79811282
2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79812309
2,2-dimethyl-3-[pentyl(propan-2-yl)amino]propanoic acid
CID 62271230
2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal
CID 62278096
2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 65267034
2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 62259798
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal
CID 79491619
2-methyl-2-[[methyl(propyl)amino]methyl]butanal
CID 62275627
2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64826760
2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal
CID 62275844
4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol
CID 62624462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal?
The IUPAC name of 2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal (CID 62276624) is 2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal.
What is the SMILES notation for 2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal?
The canonical SMILES for 2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal is CCCCCN(CC(C)(C=O)CC)C(C)C.
What is the InChIKey of 2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal?
The InChIKey is GZPDUMPLOJJJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-8-9-10-15(13(3)4)11-14(5,7-2)12-16/h12-13H,6-11H2,1-5H3.
What are the key properties of 2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal?
2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal has a molecular weight of 227.39 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal is sourced from PubChem (CID 62276624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).