N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide

C15H32BrNO — CID 173173918

IUPACN,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide
SMILESBr.CCCCCCCCCC(CC1CO1)N(C)C
InChIInChI=1S/C15H31NO.BrH/c1-4-5-6-7-8-9-10-11-14(16(2)3)12-15-13-17-15;/h14-15H,4-13H2,1-3H3;1H
InChIKeyAZUYGHJKERIAHS-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.42
Rot. Bonds11

About N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide

N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide (PubChem CID 173173918) has the molecular formula C15H32BrNO and a molecular weight of 322.33 g/mol. Its IUPAC name is N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide.

Molecular Properties

Compound NameN,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide
PubChem CID173173918
Molecular FormulaC15H32BrNO
Molecular Weight322.33 g/mol
Exact Mass321.17
IUPAC NameN,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide
SMILESBr.CCCCCCCCCC(CC1CO1)N(C)C
InChIInChI=1S/C15H31NO.BrH/c1-4-5-6-7-8-9-10-11-14(16(2)3)12-15-13-17-15;/h14-15H,4-13H2,1-3H3;1H
InChIKeyAZUYGHJKERIAHS-UHFFFAOYSA-N
XLogP4.42
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide?
The IUPAC name of N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide (CID 173173918) is N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide.
What is the SMILES notation for N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide?
The canonical SMILES for N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide is Br.CCCCCCCCCC(CC1CO1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide?
The InChIKey is AZUYGHJKERIAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO.BrH/c1-4-5-6-7-8-9-10-11-14(16(2)3)12-15-13-17-15;/h14-15H,4-13H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide?
N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide has a molecular weight of 322.33 g/mol, XLogP of 4.42, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide is sourced from PubChem (CID 173173918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).