16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide

C18H39Br2N — CID 175431925

IUPAC16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide
SMILESBr.CCCCCCCC(CCCCCCCCBr)N(C)C
InChIInChI=1S/C18H38BrN.BrH/c1-4-5-6-9-12-15-18(20(2)3)16-13-10-7-8-11-14-17-19;/h18H,4-17H2,1-3H3;1H
InChIKeyVBWDCSLGQBYWJT-UHFFFAOYSA-N
MW429.33 g/mol
LogP6.98
Rot. Bonds15

About 16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide

16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide (PubChem CID 175431925) has the molecular formula C18H39Br2N and a molecular weight of 429.33 g/mol. Its IUPAC name is 16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide.

Molecular Properties

Compound Name16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide
PubChem CID175431925
Molecular FormulaC18H39Br2N
Molecular Weight429.33 g/mol
Exact Mass427.14
IUPAC Name16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide
SMILESBr.CCCCCCCC(CCCCCCCCBr)N(C)C
InChIInChI=1S/C18H38BrN.BrH/c1-4-5-6-9-12-15-18(20(2)3)16-13-10-7-8-11-14-17-19;/h18H,4-17H2,1-3H3;1H
InChIKeyVBWDCSLGQBYWJT-UHFFFAOYSA-N
XLogP6.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.33
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylicosan-5-amine
CID 19862397
1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide
CID 173305145
N,N-dimethyltetracos-17-en-9-amine
CID 123150200
(Z)-N,N-dimethyltetratriacont-25-en-17-amine
CID 87229276
(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
CID 126711357
N,N-dimethyldotriacont-24-en-10-amine
CID 175230423
11-(7-bromoheptyl)tricosane
CID 175669850
1-bromo-8-pentyltridecane
CID 177012761

Frequently Asked Questions

What is the IUPAC name of 16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide?
The IUPAC name of 16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide (CID 175431925) is 16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide.
What is the SMILES notation for 16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide?
The canonical SMILES for 16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide is Br.CCCCCCCC(CCCCCCCCBr)N(C)C.
What is the InChIKey of 16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide?
The InChIKey is VBWDCSLGQBYWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38BrN.BrH/c1-4-5-6-9-12-15-18(20(2)3)16-13-10-7-8-11-14-17-19;/h18H,4-17H2,1-3H3;1H.
What are the key properties of 16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide?
16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide has a molecular weight of 429.33 g/mol, XLogP of 6.98, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide is sourced from PubChem (CID 175431925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).