(5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol

C18H29NO2 — CID 126662991

IUPAC(5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol
SMILESC[C@H]1C(O)=CC=C1C1=CCC(CNCCCCCO)CC1
InChIInChI=1S/C18H29NO2/c1-14-17(9-10-18(14)21)16-7-5-15(6-8-16)13-19-11-3-2-4-12-20/h7,9-10,14-15,19-21H,2-6,8,11-13H2,1H3/t14-,15?/m1/s1
InChIKeyNVBACWUWRYOCGX-GICMACPYSA-N
MW291.44 g/mol
LogP3.48
Rot. Bonds8

About (5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol

(5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol (PubChem CID 126662991) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol.

Molecular Properties

Compound Name(5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol
PubChem CID126662991
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol
SMILESC[C@H]1C(O)=CC=C1C1=CCC(CNCCCCCO)CC1
InChIInChI=1S/C18H29NO2/c1-14-17(9-10-18(14)21)16-7-5-15(6-8-16)13-19-11-3-2-4-12-20/h7,9-10,14-15,19-21H,2-6,8,11-13H2,1H3/t14-,15?/m1/s1
InChIKeyNVBACWUWRYOCGX-GICMACPYSA-N
XLogP3.48
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol?
The IUPAC name of (5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol (CID 126662991) is (5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol.
What is the SMILES notation for (5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol?
The canonical SMILES for (5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol is C[C@H]1C(O)=CC=C1C1=CCC(CNCCCCCO)CC1.
What is the InChIKey of (5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol?
The InChIKey is NVBACWUWRYOCGX-GICMACPYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-17(9-10-18(14)21)16-7-5-15(6-8-16)13-19-11-3-2-4-12-20/h7,9-10,14-15,19-21H,2-6,8,11-13H2,1H3/t14-,15?/m1/s1.
What are the key properties of (5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol?
(5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol is sourced from PubChem (CID 126662991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).