N,N-dimethylpentadecan-8-amine;hydrobromide

C17H38BrN — CID 173437553

IUPACN,N-dimethylpentadecan-8-amine;hydrobromide
SMILESBr.CCCCCCCC(CCCCCCC)N(C)C
InChIInChI=1S/C17H37N.BrH/c1-5-7-9-11-13-15-17(18(3)4)16-14-12-10-8-6-2;/h17H,5-16H2,1-4H3;1H
InChIKeyNOFQBRUVPLZZNO-UHFFFAOYSA-N
MW336.40 g/mol
LogP6.22
Rot. Bonds13

About N,N-dimethylpentadecan-8-amine;hydrobromide

N,N-dimethylpentadecan-8-amine;hydrobromide (PubChem CID 173437553) has the molecular formula C17H38BrN and a molecular weight of 336.40 g/mol. Its IUPAC name is N,N-dimethylpentadecan-8-amine;hydrobromide.

Molecular Properties

Compound NameN,N-dimethylpentadecan-8-amine;hydrobromide
PubChem CID173437553
Molecular FormulaC17H38BrN
Molecular Weight336.40 g/mol
Exact Mass335.22
IUPAC NameN,N-dimethylpentadecan-8-amine;hydrobromide
SMILESBr.CCCCCCCC(CCCCCCC)N(C)C
InChIInChI=1S/C17H37N.BrH/c1-5-7-9-11-13-15-17(18(3)4)16-14-12-10-8-6-2;/h17H,5-16H2,1-4H3;1H
InChIKeyNOFQBRUVPLZZNO-UHFFFAOYSA-N
XLogP6.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide
CID 175431925
(Z)-N,N-dimethyltetratriacont-25-en-17-amine
CID 87229276
(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
CID 126711357
N,N-dimethyltetracos-17-en-9-amine
CID 123150200
N,N-dimethyldotriacont-24-en-10-amine
CID 175230423
1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
CID 91061045
N,N-dimethyl-21-[(1S,2R)-2-octylcyclopropyl]henicosan-10-amine
CID 56944623

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpentadecan-8-amine;hydrobromide?
The IUPAC name of N,N-dimethylpentadecan-8-amine;hydrobromide (CID 173437553) is N,N-dimethylpentadecan-8-amine;hydrobromide.
What is the SMILES notation for N,N-dimethylpentadecan-8-amine;hydrobromide?
The canonical SMILES for N,N-dimethylpentadecan-8-amine;hydrobromide is Br.CCCCCCCC(CCCCCCC)N(C)C.
What is the InChIKey of N,N-dimethylpentadecan-8-amine;hydrobromide?
The InChIKey is NOFQBRUVPLZZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N.BrH/c1-5-7-9-11-13-15-17(18(3)4)16-14-12-10-8-6-2;/h17H,5-16H2,1-4H3;1H.
What are the key properties of N,N-dimethylpentadecan-8-amine;hydrobromide?
N,N-dimethylpentadecan-8-amine;hydrobromide has a molecular weight of 336.40 g/mol, XLogP of 6.22, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpentadecan-8-amine;hydrobromide is sourced from PubChem (CID 173437553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).