N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride

C17H30ClN — CID 173027256

IUPACN,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
SMILESCN(C)CCCCCCCCCc1ccccc1.Cl
InChIInChI=1S/C17H29N.ClH/c1-18(2)16-12-7-5-3-4-6-9-13-17-14-10-8-11-15-17;/h8,10-11,14-15H,3-7,9,12-13,16H2,1-2H3;1H
InChIKeyCKWURXSUKWGHLX-UHFFFAOYSA-N
MW283.89 g/mol
LogP4.94
Rot. Bonds10

About N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride

N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride (PubChem CID 173027256) has the molecular formula C17H30ClN and a molecular weight of 283.89 g/mol. Its IUPAC name is N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
PubChem CID173027256
Molecular FormulaC17H30ClN
Molecular Weight283.89 g/mol
Exact Mass283.21
IUPAC NameN,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
SMILESCN(C)CCCCCCCCCc1ccccc1.Cl
InChIInChI=1S/C17H29N.ClH/c1-18(2)16-12-7-5-3-4-6-9-13-17-14-10-8-11-15-17;/h8,10-11,14-15H,3-7,9,12-13,16H2,1-2H3;1H
InChIKeyCKWURXSUKWGHLX-UHFFFAOYSA-N
XLogP4.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.89
LogP ≤ 54.94
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-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N,N-diethyl-14-phenyltetradecan-1-amine;N,N-dimethyl-14-phenyltetradecan-1-amine;dihydrate
CID 173448155
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
N,N-dimethyl-13-phenyltridecan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171929637
N,N-dimethyl-5-(4-methylphenyl)pentan-1-amine;hydrate
CID 173447958
N,N-dimethyl-9-phenylnonan-1-amine;2-phenylethenesulfonic acid
CID 173333887
N-[[3-[[3-(dimethylamino)propylamino]methyl]-2-(9-phenylnonyl)phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;tetrahydrochloride
CID 139660818
N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride
CID 174059369
N,N-dimethyl-4,8-diphenyloctan-1-amine
CID 13230987

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride (CID 173027256) is N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride is CN(C)CCCCCCCCCc1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride?
The InChIKey is CKWURXSUKWGHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.ClH/c1-18(2)16-12-7-5-3-4-6-9-13-17-14-10-8-11-15-17;/h8,10-11,14-15H,3-7,9,12-13,16H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride?
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride has a molecular weight of 283.89 g/mol, XLogP of 4.94, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride is sourced from PubChem (CID 173027256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).