2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol

C24H47NO — CID 134389538

IUPAC2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol
SMILESCCCCC(C)C(C)C(O)C(C/C1=C\CCCCCCC1)NC(C)CC
InChIInChI=1S/C24H47NO/c1-6-8-15-19(3)21(5)24(26)23(25-20(4)7-2)18-22-16-13-11-9-10-12-14-17-22/h16,19-21,23-26H,6-15,17-18H2,1-5H3/b22-16-
InChIKeyTZTCBANZDUXRDD-JWGURIENSA-N
MW365.65 g/mol
LogP6.63
Rot. Bonds11

About 2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol

2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol (PubChem CID 134389538) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol
PubChem CID134389538
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol
SMILESCCCCC(C)C(C)C(O)C(C/C1=C\CCCCCCC1)NC(C)CC
InChIInChI=1S/C24H47NO/c1-6-8-15-19(3)21(5)24(26)23(25-20(4)7-2)18-22-16-13-11-9-10-12-14-17-22/h16,19-21,23-26H,6-15,17-18H2,1-5H3/b22-16-
InChIKeyTZTCBANZDUXRDD-JWGURIENSA-N
XLogP6.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol?
The IUPAC name of 2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol (CID 134389538) is 2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol.
What is the SMILES notation for 2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol?
The canonical SMILES for 2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol is CCCCC(C)C(C)C(O)C(C/C1=C\CCCCCCC1)NC(C)CC.
What is the InChIKey of 2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol?
The InChIKey is TZTCBANZDUXRDD-JWGURIENSA-N. The full InChI is InChI=1S/C24H47NO/c1-6-8-15-19(3)21(5)24(26)23(25-20(4)7-2)18-22-16-13-11-9-10-12-14-17-22/h16,19-21,23-26H,6-15,17-18H2,1-5H3/b22-16-.
What are the key properties of 2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol?
2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol has a molecular weight of 365.65 g/mol, XLogP of 6.63, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol is sourced from PubChem (CID 134389538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).