N,N-dimethylnonadecan-2-amine;hydrochloride

C21H46ClN — CID 175046684

IUPACN,N-dimethylnonadecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(C)N(C)C.Cl
InChIInChI=1S/C21H45N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22(3)4;/h21H,5-20H2,1-4H3;1H
InChIKeyMWBNOHZQAFPMFU-UHFFFAOYSA-N
MW348.06 g/mol
LogP7.62
Rot. Bonds17

About N,N-dimethylnonadecan-2-amine;hydrochloride

N,N-dimethylnonadecan-2-amine;hydrochloride (PubChem CID 175046684) has the molecular formula C21H46ClN and a molecular weight of 348.06 g/mol. Its IUPAC name is N,N-dimethylnonadecan-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylnonadecan-2-amine;hydrochloride
PubChem CID175046684
Molecular FormulaC21H46ClN
Molecular Weight348.06 g/mol
Exact Mass347.33
IUPAC NameN,N-dimethylnonadecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(C)N(C)C.Cl
InChIInChI=1S/C21H45N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22(3)4;/h21H,5-20H2,1-4H3;1H
InChIKeyMWBNOHZQAFPMFU-UHFFFAOYSA-N
XLogP7.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.06
LogP ≤ 57.62
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

1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine
CID 87965126
N,N-di(nonadecan-2-yl)nonadecan-2-amine
CID 19594136
N,N-di(tridecan-2-yl)tridecan-2-amine
CID 87098451
N,N-dimethyltetracontan-19-amine
CID 45382230
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-di(decan-2-yl)decan-2-amine;hydrobromide
CID 173437126
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N,N-dihydroxyoctadecan-2-amine
CID 19777704
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-5-amine
CID 19862397
N,N,11-trimethylpentacosan-13-amine;hydrochloride
CID 173231447

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylnonadecan-2-amine;hydrochloride?
The IUPAC name of N,N-dimethylnonadecan-2-amine;hydrochloride (CID 175046684) is N,N-dimethylnonadecan-2-amine;hydrochloride.
What is the SMILES notation for N,N-dimethylnonadecan-2-amine;hydrochloride?
The canonical SMILES for N,N-dimethylnonadecan-2-amine;hydrochloride is CCCCCCCCCCCCCCCCCC(C)N(C)C.Cl.
What is the InChIKey of N,N-dimethylnonadecan-2-amine;hydrochloride?
The InChIKey is MWBNOHZQAFPMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22(3)4;/h21H,5-20H2,1-4H3;1H.
What are the key properties of N,N-dimethylnonadecan-2-amine;hydrochloride?
N,N-dimethylnonadecan-2-amine;hydrochloride has a molecular weight of 348.06 g/mol, XLogP of 7.62, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylnonadecan-2-amine;hydrochloride is sourced from PubChem (CID 175046684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).