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

C14H25NO — CID 62276800

IUPAC1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCC(C)CN(CC1(C=O)CCCC1)C1CC1
InChIInChI=1S/C14H25NO/c1-12(2)9-15(13-5-6-13)10-14(11-16)7-3-4-8-14/h11-13H,3-10H2,1-2H3
InChIKeyUATLEAKUULUUAS-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds6

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

1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 62276800) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde
PubChem CID62276800
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCC(C)CN(CC1(C=O)CCCC1)C1CC1
InChIInChI=1S/C14H25NO/c1-12(2)9-15(13-5-6-13)10-14(11-16)7-3-4-8-14/h11-13H,3-10H2,1-2H3
InChIKeyUATLEAKUULUUAS-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
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

1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275816
1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276078
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271036
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 115448961
1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275706
[1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentyl]methanol
CID 62266509
1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276243
1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 62336784
1-[[methyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62277518
4-[[cyclopropyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391098
N-(2-methylpropyl)-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133310
1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 55051071

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde (CID 62276800) is 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde is CC(C)CN(CC1(C=O)CCCC1)C1CC1.
What is the InChIKey of 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is UATLEAKUULUUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(2)9-15(13-5-6-13)10-14(11-16)7-3-4-8-14/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde?
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 223.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62276800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).