(6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol

C19H33NO — CID 123687881

IUPAC(6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
SMILESC=C1C=CC([C@@H](C)CC(CC(C)(C)O)NCC(C)C)=CC1
InChIInChI=1S/C19H33NO/c1-14(2)13-20-18(12-19(5,6)21)11-16(4)17-9-7-15(3)8-10-17/h7,9-10,14,16,18,20-21H,3,8,11-13H2,1-2,4-6H3/t16-,18?/m0/s1
InChIKeyOVJJAKUGAIGNJZ-ATNAJCNCSA-N
MW291.48 g/mol
LogP4.23
Rot. Bonds8

About (6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol

(6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol (PubChem CID 123687881) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol.

Molecular Properties

Compound Name(6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
PubChem CID123687881
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
SMILESC=C1C=CC([C@@H](C)CC(CC(C)(C)O)NCC(C)C)=CC1
InChIInChI=1S/C19H33NO/c1-14(2)13-20-18(12-19(5,6)21)11-16(4)17-9-7-15(3)8-10-17/h7,9-10,14,16,18,20-21H,3,8,11-13H2,1-2,4-6H3/t16-,18?/m0/s1
InChIKeyOVJJAKUGAIGNJZ-ATNAJCNCSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(2-Hydroxypropan-2-yl)octadec-9-enylamino]methyl]-2-methylnonadec-10-en-2-ol
CID 54353200
2-Methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 60152628
(6S)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 60152761
(5S)-2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-3-(2-methylpropylamino)hexan-2-ol
CID 71276986
(Z)-3-[[[(Z)-2-(2-hydroxypropan-2-yl)octadec-9-enyl]amino]methyl]-2-methylnonadec-10-en-2-ol
CID 88295960
4-[5-(Methylamino)pentan-2-yl]cyclohexa-1,3-dien-1-ol
CID 89635913
1-methyl-4-[(2S)-5-(propylamino)pentan-2-yl]cyclohex-3-en-1-ol
CID 89899534
4-(Cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol
CID 91096213
(6S)-2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 117784864
(6S)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(2-methylpropylamino)methyl]heptan-2-ol
CID 130433403
1-Cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol
CID 143215225
4-(3-Cyclohepta-1,4,6-trien-1-ylpropyl)piperidin-4-ol;ethane;pentane;prop-1-ene
CID 144056536

Frequently Asked Questions

What is the IUPAC name of (6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol?
The IUPAC name of (6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol (CID 123687881) is (6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol.
What is the SMILES notation for (6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol?
The canonical SMILES for (6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol is C=C1C=CC([C@@H](C)CC(CC(C)(C)O)NCC(C)C)=CC1.
What is the InChIKey of (6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol?
The InChIKey is OVJJAKUGAIGNJZ-ATNAJCNCSA-N. The full InChI is InChI=1S/C19H33NO/c1-14(2)13-20-18(12-19(5,6)21)11-16(4)17-9-7-15(3)8-10-17/h7,9-10,14,16,18,20-21H,3,8,11-13H2,1-2,4-6H3/t16-,18?/m0/s1.
What are the key properties of (6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol?
(6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol has a molecular weight of 291.48 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol is sourced from PubChem (CID 123687881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).