(4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol

C18H37NO — CID 166691978

IUPAC(4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol
SMILESC=CCC(C(C)CCCC(C)NC)C(C)[C@@H](O)CCC
InChIInChI=1S/C18H37NO/c1-7-10-17(16(5)18(20)11-8-2)14(3)12-9-13-15(4)19-6/h7,14-20H,1,8-13H2,2-6H3/t14?,15?,16?,17?,18-/m0/s1
InChIKeyDWXCUFDYRYLWAE-AFKOEOOISA-N
MW283.50 g/mol
LogP4.39
Rot. Bonds12

About (4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol

(4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol (PubChem CID 166691978) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is (4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol.

Molecular Properties

Compound Name(4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol
PubChem CID166691978
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name(4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol
SMILESC=CCC(C(C)CCCC(C)NC)C(C)[C@@H](O)CCC
InChIInChI=1S/C18H37NO/c1-7-10-17(16(5)18(20)11-8-2)14(3)12-9-13-15(4)19-6/h7,14-20H,1,8-13H2,2-6H3/t14?,15?,16?,17?,18-/m0/s1
InChIKeyDWXCUFDYRYLWAE-AFKOEOOISA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.39
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

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CID 129847194
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CID 19736480
2-Amino-1-cyclohexyl-4-propan-2-ylhept-6-en-3-ol;hydrochloride
CID 19790992
(alphaS,betaS)-beta-amino-alpha-[(S)-2-isopropyl-3-butenyl]cyclohexanepropanol
CID 54059668
(4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol
CID 56990900
(2S,3S,4S)-2-amino-1-cyclohexyl-4-propan-2-ylhept-6-en-3-ol
CID 57254816
(2S,3S)-2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol
CID 67876469
(2S,3S,5S)-2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol;hydrochloride
CID 67876572
(2S,3S)-2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol;hydrochloride
CID 67876577
(2S,3S,4S)-2-amino-1-cyclohexyl-4-propan-2-ylhept-6-en-3-ol;hydrochloride
CID 67876621
(2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
CID 70041382
(2S,3S,5S)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
CID 70041702

Frequently Asked Questions

What is the IUPAC name of (4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol?
The IUPAC name of (4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol (CID 166691978) is (4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol.
What is the SMILES notation for (4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol?
The canonical SMILES for (4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol is C=CCC(C(C)CCCC(C)NC)C(C)[C@@H](O)CCC.
What is the InChIKey of (4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol?
The InChIKey is DWXCUFDYRYLWAE-AFKOEOOISA-N. The full InChI is InChI=1S/C18H37NO/c1-7-10-17(16(5)18(20)11-8-2)14(3)12-9-13-15(4)19-6/h7,14-20H,1,8-13H2,2-6H3/t14?,15?,16?,17?,18-/m0/s1.
What are the key properties of (4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol?
(4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol has a molecular weight of 283.50 g/mol, XLogP of 4.39, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol is sourced from PubChem (CID 166691978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).