1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde

C14H27NO — CID 62276078

IUPAC1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCC(C)CN(CC1(C=O)CCCC1)C(C)C
InChIInChI=1S/C14H27NO/c1-12(2)9-15(13(3)4)10-14(11-16)7-5-6-8-14/h11-13H,5-10H2,1-4H3
InChIKeyPFIJJSCMHBHISD-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds6

About 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde

1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 62276078) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde
PubChem CID62276078
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCC(C)CN(CC1(C=O)CCCC1)C(C)C
InChIInChI=1S/C14H27NO/c1-12(2)9-15(13(3)4)10-14(11-16)7-5-6-8-14/h11-13H,5-10H2,1-4H3
InChIKeyPFIJJSCMHBHISD-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde (CID 62276078) is 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde is CC(C)CN(CC1(C=O)CCCC1)C(C)C.
What is the InChIKey of 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is PFIJJSCMHBHISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)9-15(13(3)4)10-14(11-16)7-5-6-8-14/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde?
1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 225.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62276078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).