(7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine

C28H57NO — CID 70887403

IUPAC(7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine
SMILESCCCCC(CCC(C)[C@@H](C(N)CCCC(C)C)C1CCCCC1C(C)CC)OC
InChIInChI=1S/C28H57NO/c1-8-10-15-24(30-7)20-19-23(6)28(27(29)18-13-14-21(3)4)26-17-12-11-16-25(26)22(5)9-2/h21-28H,8-20,29H2,1-7H3/t22?,23?,24?,25?,26?,27?,28-/m1/s1
InChIKeyHKDPACFUCYNFNC-HBVSVVFWSA-N
MW423.77 g/mol
LogP8.23
Rot. Bonds16

About (7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine

(7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine (PubChem CID 70887403) has the molecular formula C28H57NO and a molecular weight of 423.77 g/mol. Its IUPAC name is (7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine.

Molecular Properties

Compound Name(7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine
PubChem CID70887403
Molecular FormulaC28H57NO
Molecular Weight423.77 g/mol
Exact Mass423.44
IUPAC Name(7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine
SMILESCCCCC(CCC(C)[C@@H](C(N)CCCC(C)C)C1CCCCC1C(C)CC)OC
InChIInChI=1S/C28H57NO/c1-8-10-15-24(30-7)20-19-23(6)28(27(29)18-13-14-21(3)4)26-17-12-11-16-25(26)22(5)9-2/h21-28H,8-20,29H2,1-7H3/t22?,23?,24?,25?,26?,27?,28-/m1/s1
InChIKeyHKDPACFUCYNFNC-HBVSVVFWSA-N
XLogP8.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.77
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine?
The IUPAC name of (7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine (CID 70887403) is (7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine.
What is the SMILES notation for (7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine?
The canonical SMILES for (7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine is CCCCC(CCC(C)[C@@H](C(N)CCCC(C)C)C1CCCCC1C(C)CC)OC.
What is the InChIKey of (7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine?
The InChIKey is HKDPACFUCYNFNC-HBVSVVFWSA-N. The full InChI is InChI=1S/C28H57NO/c1-8-10-15-24(30-7)20-19-23(6)28(27(29)18-13-14-21(3)4)26-17-12-11-16-25(26)22(5)9-2/h21-28H,8-20,29H2,1-7H3/t22?,23?,24?,25?,26?,27?,28-/m1/s1.
What are the key properties of (7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine?
(7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine has a molecular weight of 423.77 g/mol, XLogP of 8.23, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2-butan-2-ylcyclohexyl)-11-methoxy-2,8-dimethylpentadecan-6-amine is sourced from PubChem (CID 70887403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).