3-methoxy-2-methylheptadecan-2-amine;hydrochloride

C19H42ClNO — CID 173397461

IUPAC3-methoxy-2-methylheptadecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCC(OC)C(C)(C)N.Cl
InChIInChI=1S/C19H41NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21-4)19(2,3)20;/h18H,5-17,20H2,1-4H3;1H
InChIKeyUIXUCQOQAYDMAU-UHFFFAOYSA-N
MW336.00 g/mol
LogP6.25
Rot. Bonds15

About 3-methoxy-2-methylheptadecan-2-amine;hydrochloride

3-methoxy-2-methylheptadecan-2-amine;hydrochloride (PubChem CID 173397461) has the molecular formula C19H42ClNO and a molecular weight of 336.00 g/mol. Its IUPAC name is 3-methoxy-2-methylheptadecan-2-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-2-methylheptadecan-2-amine;hydrochloride
PubChem CID173397461
Molecular FormulaC19H42ClNO
Molecular Weight336.00 g/mol
Exact Mass335.30
IUPAC Name3-methoxy-2-methylheptadecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCC(OC)C(C)(C)N.Cl
InChIInChI=1S/C19H41NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21-4)19(2,3)20;/h18H,5-17,20H2,1-4H3;1H
InChIKeyUIXUCQOQAYDMAU-UHFFFAOYSA-N
XLogP6.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.00
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxy-2-methylnonadecan-2-yl)silane
CID 173128968
9,13-dimethoxy-10,10,12,12-tetramethylhenicosane
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2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride
CID 175368556
CID 18425047
CID 18425047
3-hexyl-2-methylundecan-2-amine
CID 89005835
2-methyldecane-2,3-diamine
CID 87934186
2,3-dimethylhexadecan-2-amine
CID 87479269
4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane
CID 159305061
3-ethyl-2-methylnonan-2-amine
CID 175488413
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
3-(2,2-dimethyloctan-3-ylperoxy)-2,2-dimethyloctane
CID 175062921
3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylheptadecan-2-amine;hydrochloride?
The IUPAC name of 3-methoxy-2-methylheptadecan-2-amine;hydrochloride (CID 173397461) is 3-methoxy-2-methylheptadecan-2-amine;hydrochloride.
What is the SMILES notation for 3-methoxy-2-methylheptadecan-2-amine;hydrochloride?
The canonical SMILES for 3-methoxy-2-methylheptadecan-2-amine;hydrochloride is CCCCCCCCCCCCCCC(OC)C(C)(C)N.Cl.
What is the InChIKey of 3-methoxy-2-methylheptadecan-2-amine;hydrochloride?
The InChIKey is UIXUCQOQAYDMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21-4)19(2,3)20;/h18H,5-17,20H2,1-4H3;1H.
What are the key properties of 3-methoxy-2-methylheptadecan-2-amine;hydrochloride?
3-methoxy-2-methylheptadecan-2-amine;hydrochloride has a molecular weight of 336.00 g/mol, XLogP of 6.25, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylheptadecan-2-amine;hydrochloride is sourced from PubChem (CID 173397461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).