(4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol

C15H31NO — CID 170636685

IUPAC(4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol
SMILESC=CCCC[C@@](C)(NC(C)C)C(C)(O)C(C)C
InChIInChI=1S/C15H31NO/c1-8-9-10-11-14(6,16-13(4)5)15(7,17)12(2)3/h8,12-13,16-17H,1,9-11H2,2-7H3/t14-,15?/m1/s1
InChIKeyNDPMTESJNNSDML-GICMACPYSA-N
MW241.42 g/mol
LogP3.51
Rot. Bonds8

About (4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol

(4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol (PubChem CID 170636685) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol.

Molecular Properties

Compound Name(4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol
PubChem CID170636685
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol
SMILESC=CCCC[C@@](C)(NC(C)C)C(C)(O)C(C)C
InChIInChI=1S/C15H31NO/c1-8-9-10-11-14(6,16-13(4)5)15(7,17)12(2)3/h8,12-13,16-17H,1,9-11H2,2-7H3/t14-,15?/m1/s1
InChIKeyNDPMTESJNNSDML-GICMACPYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol
CID 170714329
(3R)-3-methyl-6-prop-2-enylpiperidin-3-ol
CID 176175214
4-Piperidin-2-ylhepta-1,6-dien-4-ol
CID 23007806
(6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol
CID 39776337
(6R)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol
CID 39776340
4-{[(7-Hydroxy-3,7-dimethyloctyl)amino]methyl}-1,6-heptadien-4-ol
CID 45930657
4-Methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
CID 65116293
1-[(But-3-enylamino)methyl]-4-ethylcyclohexan-1-ol
CID 65118243
4-Ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
CID 65118678
3-Methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
CID 65120575
1-[(Pent-4-enylamino)methyl]cycloheptan-1-ol
CID 65123060
1-[(Hept-6-en-3-ylamino)methyl]cyclopentan-1-ol
CID 75428093

Frequently Asked Questions

What is the IUPAC name of (4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol?
The IUPAC name of (4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol (CID 170636685) is (4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol.
What is the SMILES notation for (4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol?
The canonical SMILES for (4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol is C=CCCC[C@@](C)(NC(C)C)C(C)(O)C(C)C.
What is the InChIKey of (4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol?
The InChIKey is NDPMTESJNNSDML-GICMACPYSA-N. The full InChI is InChI=1S/C15H31NO/c1-8-9-10-11-14(6,16-13(4)5)15(7,17)12(2)3/h8,12-13,16-17H,1,9-11H2,2-7H3/t14-,15?/m1/s1.
What are the key properties of (4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol?
(4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol has a molecular weight of 241.42 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol is sourced from PubChem (CID 170636685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).