(2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine

C19H37NO — CID 89269484

IUPAC(2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine
SMILESC=CC(CC(CCC)[C@@H](C)CN)OCC1CCCCC1C
InChIInChI=1S/C19H37NO/c1-5-9-17(16(4)13-20)12-19(6-2)21-14-18-11-8-7-10-15(18)3/h6,15-19H,2,5,7-14,20H2,1,3-4H3/t15?,16-,17?,18?,19?/m0/s1
InChIKeyZWTQIEHBCXLOLH-LPNPINDPSA-N
MW295.51 g/mol
LogP4.79
Rot. Bonds10

About (2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine

(2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine (PubChem CID 89269484) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is (2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine.

Molecular Properties

Compound Name(2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine
PubChem CID89269484
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name(2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine
SMILESC=CC(CC(CCC)[C@@H](C)CN)OCC1CCCCC1C
InChIInChI=1S/C19H37NO/c1-5-9-17(16(4)13-20)12-19(6-2)21-14-18-11-8-7-10-15(18)3/h6,15-19H,2,5,7-14,20H2,1,3-4H3/t15?,16-,17?,18?,19?/m0/s1
InChIKeyZWTQIEHBCXLOLH-LPNPINDPSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine?
The IUPAC name of (2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine (CID 89269484) is (2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine.
What is the SMILES notation for (2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine?
The canonical SMILES for (2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine is C=CC(CC(CCC)[C@@H](C)CN)OCC1CCCCC1C.
What is the InChIKey of (2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine?
The InChIKey is ZWTQIEHBCXLOLH-LPNPINDPSA-N. The full InChI is InChI=1S/C19H37NO/c1-5-9-17(16(4)13-20)12-19(6-2)21-14-18-11-8-7-10-15(18)3/h6,15-19H,2,5,7-14,20H2,1,3-4H3/t15?,16-,17?,18?,19?/m0/s1.
What are the key properties of (2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine?
(2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine has a molecular weight of 295.51 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-5-[(2-methylcyclohexyl)methoxy]-3-propylhept-6-en-1-amine is sourced from PubChem (CID 89269484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).