CID 59070125

C11H19NO — CID 59070125

IUPAC—
SMILES[CH][C@H](C=O)CNCC1CCCCC1
InChIInChI=1S/C11H19NO/c1-10(9-13)7-12-8-11-5-3-2-4-6-11/h1,9-12H,2-8H2/t10-/m0/s1
InChIKeyYRSSGWGSZXQUCX-JTQLQIEISA-N
MW181.28 g/mol
LogP1.68
Rot. Bonds5

About CID 59070125

CID 59070125 (PubChem CID 59070125) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol.

Molecular Properties

Compound NameCID 59070125
PubChem CID59070125
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name—
SMILES[CH][C@H](C=O)CNCC1CCCCC1
InChIInChI=1S/C11H19NO/c1-10(9-13)7-12-8-11-5-3-2-4-6-11/h1,9-12H,2-8H2/t10-/m0/s1
InChIKeyYRSSGWGSZXQUCX-JTQLQIEISA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 59070118
CID 59070118
3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
3-(cycloheptylmethylamino)-2-hydroxypropanamide
CID 106170462
2-chloro-N-(cyclopentylmethyl)propan-1-amine
CID 65024059
4-(cyclohexylmethylamino)-3-hydroxybutanoic acid
CID 103237864
methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
CID 129354214
3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid
CID 115256149
1-N-(cyclopentylmethyl)propane-1,2-diamine
CID 115196604
N-(cyclopentylmethyl)-2-ethylbutan-1-amine
CID 43317342
3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
3-(cyclopentylmethylamino)-2-hydroxypropanamide
CID 106171619
(cyclononylmethylamino)methanol
CID 137465268

Frequently Asked Questions

What is the IUPAC name of CID 59070125?
The IUPAC name of CID 59070125 (CID 59070125) is not available.
What is the SMILES notation for CID 59070125?
The canonical SMILES for CID 59070125 is [CH][C@H](C=O)CNCC1CCCCC1.
What is the InChIKey of CID 59070125?
The InChIKey is YRSSGWGSZXQUCX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO/c1-10(9-13)7-12-8-11-5-3-2-4-6-11/h1,9-12H,2-8H2/t10-/m0/s1.
What are the key properties of CID 59070125?
CID 59070125 has a molecular weight of 181.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59070125 is sourced from PubChem (CID 59070125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).