3-ethyl-2-methylnonadecan-2-amine;hydrobromide

C22H48BrN — CID 173248519

IUPAC3-ethyl-2-methylnonadecan-2-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCC(CC)C(C)(C)N
InChIInChI=1S/C22H47N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(6-2)22(3,4)23;/h21H,5-20,23H2,1-4H3;1H
InChIKeyCTRKFFLUKVGNON-UHFFFAOYSA-N
MW406.54 g/mol
LogP8.20
Rot. Bonds17

About 3-ethyl-2-methylnonadecan-2-amine;hydrobromide

3-ethyl-2-methylnonadecan-2-amine;hydrobromide (PubChem CID 173248519) has the molecular formula C22H48BrN and a molecular weight of 406.54 g/mol. Its IUPAC name is 3-ethyl-2-methylnonadecan-2-amine;hydrobromide.

Molecular Properties

Compound Name3-ethyl-2-methylnonadecan-2-amine;hydrobromide
PubChem CID173248519
Molecular FormulaC22H48BrN
Molecular Weight406.54 g/mol
Exact Mass405.30
IUPAC Name3-ethyl-2-methylnonadecan-2-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCC(CC)C(C)(C)N
InChIInChI=1S/C22H47N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(6-2)22(3,4)23;/h21H,5-20,23H2,1-4H3;1H
InChIKeyCTRKFFLUKVGNON-UHFFFAOYSA-N
XLogP8.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.54
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-methylnonan-2-amine
CID 175488413
3-hexyl-2-methylundecan-2-amine
CID 89005835
3,4-diethylundecan-3-amine;hydrobromide
CID 173157515
3,4-diethylnonan-3-amine;hydrobromide
CID 173157604
5-ethyl-3-hexyl-2-methylnonan-2-amine
CID 3024221
2-methyl-3-prop-2-enylheptadecan-2-amine;hydrochloride
CID 173035002
3,4-diethylnonan-3-amine;hydrochloride
CID 173157621
4-(2-aminopropan-2-yl)icosan-2-ol
CID 87495669
4-(2-aminopropan-2-yl)-1-chloroicosan-2-ol;hydrobromide
CID 173086474
3-ethyl-2-methylundecan-2-ol
CID 91236413
4-ethylnonane-3,3-diamine
CID 168918748
8,9-diheptyltricosan-8-amine;hydrobromide
CID 173158343

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylnonadecan-2-amine;hydrobromide?
The IUPAC name of 3-ethyl-2-methylnonadecan-2-amine;hydrobromide (CID 173248519) is 3-ethyl-2-methylnonadecan-2-amine;hydrobromide.
What is the SMILES notation for 3-ethyl-2-methylnonadecan-2-amine;hydrobromide?
The canonical SMILES for 3-ethyl-2-methylnonadecan-2-amine;hydrobromide is Br.CCCCCCCCCCCCCCCCC(CC)C(C)(C)N.
What is the InChIKey of 3-ethyl-2-methylnonadecan-2-amine;hydrobromide?
The InChIKey is CTRKFFLUKVGNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(6-2)22(3,4)23;/h21H,5-20,23H2,1-4H3;1H.
What are the key properties of 3-ethyl-2-methylnonadecan-2-amine;hydrobromide?
3-ethyl-2-methylnonadecan-2-amine;hydrobromide has a molecular weight of 406.54 g/mol, XLogP of 8.20, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylnonadecan-2-amine;hydrobromide is sourced from PubChem (CID 173248519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).