1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide

C19H41BrClN — CID 173305145

IUPAC1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide
SMILESBr.CCCCCCCCCCCC(CCCCCCl)N(C)C
InChIInChI=1S/C19H40ClN.BrH/c1-4-5-6-7-8-9-10-11-13-16-19(21(2)3)17-14-12-15-18-20;/h19H,4-18H2,1-3H3;1H
InChIKeyFJGDTPAICWZDPK-UHFFFAOYSA-N
MW398.90 g/mol
LogP7.21
Rot. Bonds16

About 1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide

1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide (PubChem CID 173305145) has the molecular formula C19H41BrClN and a molecular weight of 398.90 g/mol. Its IUPAC name is 1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide.

Molecular Properties

Compound Name1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide
PubChem CID173305145
Molecular FormulaC19H41BrClN
Molecular Weight398.90 g/mol
Exact Mass397.21
IUPAC Name1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide
SMILESBr.CCCCCCCCCCCC(CCCCCCl)N(C)C
InChIInChI=1S/C19H40ClN.BrH/c1-4-5-6-7-8-9-10-11-13-16-19(21(2)3)17-14-12-15-18-20;/h19H,4-18H2,1-3H3;1H
InChIKeyFJGDTPAICWZDPK-UHFFFAOYSA-N
XLogP7.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.90
LogP ≤ 57.21
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
16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide
CID 175431925
1-chlorohexane;N,N-dimethylmethanamine
CID 174391589
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
azane;1-chlorohexadecane;N,N-dimethylmethanamine
CID 172752660

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide?
The IUPAC name of 1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide (CID 173305145) is 1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide.
What is the SMILES notation for 1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide?
The canonical SMILES for 1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide is Br.CCCCCCCCCCCC(CCCCCCl)N(C)C.
What is the InChIKey of 1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide?
The InChIKey is FJGDTPAICWZDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40ClN.BrH/c1-4-5-6-7-8-9-10-11-13-16-19(21(2)3)17-14-12-15-18-20;/h19H,4-18H2,1-3H3;1H.
What are the key properties of 1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide?
1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide has a molecular weight of 398.90 g/mol, XLogP of 7.21, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide is sourced from PubChem (CID 173305145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).