2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol

C15H29NO — CID 106654917

IUPAC2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCCC(C)(O)C1=CCCCCCC1
InChIInChI=1S/C15H29NO/c1-13(2)16-12-11-15(3,17)14-9-7-5-4-6-8-10-14/h9,13,16-17H,4-8,10-12H2,1-3H3
InChIKeyLPEIAZKEPOXTFQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.41
Rot. Bonds5

About 2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol

2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol (PubChem CID 106654917) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol
PubChem CID106654917
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCCC(C)(O)C1=CCCCCCC1
InChIInChI=1S/C15H29NO/c1-13(2)16-12-11-15(3,17)14-9-7-5-4-6-8-10-14/h9,13,16-17H,4-8,10-12H2,1-3H3
InChIKeyLPEIAZKEPOXTFQ-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.41
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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(6S)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 60152761
2-Ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol
CID 71052564
(1R)-1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485613
1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141463
(1Z,4Z,7Z)-8-[2-methyl-4-(methylamino)pentyl]-5-propylcycloocta-1,4,7-trien-1-ol
CID 173982948
4-[2,6-Bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-ol
CID 2835124
4-[(2S,6R)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]hepta-1,6-dien-4-ol
CID 7311300
4-[(2S,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-ol
CID 11054858
4-[(2S,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]hepta-1,6-dien-4-ol
CID 21609632
4-[(2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-ol
CID 40500724

Frequently Asked Questions

What is the IUPAC name of 2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol (CID 106654917) is 2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol is CC(C)NCCC(C)(O)C1=CCCCCCC1.
What is the InChIKey of 2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol?
The InChIKey is LPEIAZKEPOXTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)16-12-11-15(3,17)14-9-7-5-4-6-8-10-14/h9,13,16-17H,4-8,10-12H2,1-3H3.
What are the key properties of 2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol?
2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol has a molecular weight of 239.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloocten-1-yl)-4-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 106654917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).