1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol

C21H39NO — CID 91017496

IUPAC1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol
SMILESCC=CCC(CCC)C(C)C(O)C1CCC(NCC2CC2)CC1
InChIInChI=1S/C21H39NO/c1-4-6-8-18(7-5-2)16(3)21(23)19-11-13-20(14-12-19)22-15-17-9-10-17/h4,6,16-23H,5,7-15H2,1-3H3
InChIKeyRHNWYPFTVZTJQJ-UHFFFAOYSA-N
MW321.55 g/mol
LogP4.92
Rot. Bonds10

About 1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol

1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol (PubChem CID 91017496) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol
PubChem CID91017496
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Name1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol
SMILESCC=CCC(CCC)C(C)C(O)C1CCC(NCC2CC2)CC1
InChIInChI=1S/C21H39NO/c1-4-6-8-18(7-5-2)16(3)21(23)19-11-13-20(14-12-19)22-15-17-9-10-17/h4,6,16-23H,5,7-15H2,1-3H3
InChIKeyRHNWYPFTVZTJQJ-UHFFFAOYSA-N
XLogP4.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 54.92
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

CID 68323627
CID 68323627
5-Cyclopropyl-2-[[2-[3-hydroxy-2-(2-propan-2-ylbut-3-enylamino)butyl]cyclohexylidene]methyl]pentane-1,1-diol
CID 91242739
5-(1-cyclopropylethyl)-3-methyl-3-(2,3,4,7-tetrahydro-1H-azepin-4-yl)octan-4-ol
CID 91257846
4-[2-[[4-[(E)-2-cyclohexylethenyl]cyclohexyl]amino]propan-2-yl]cyclohexan-1-ol
CID 143547522
[4-(Cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol
CID 84590027
[4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol
CID 98562208
[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol
CID 98562211
2-[3-(3-Methylhex-5-en-2-ylamino)propyl]cyclohexan-1-ol
CID 109960210

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol?
The IUPAC name of 1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol (CID 91017496) is 1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol is CC=CCC(CCC)C(C)C(O)C1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol?
The InChIKey is RHNWYPFTVZTJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO/c1-4-6-8-18(7-5-2)16(3)21(23)19-11-13-20(14-12-19)22-15-17-9-10-17/h4,6,16-23H,5,7-15H2,1-3H3.
What are the key properties of 1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol?
1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol has a molecular weight of 321.55 g/mol, XLogP of 4.92, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol is sourced from PubChem (CID 91017496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).