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

C17H30ClN — CID 173276058

IUPACN,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
SMILESCCCCCCCCC(c1ccccc1)N(C)C.Cl
InChIInChI=1S/C17H29N.ClH/c1-4-5-6-7-8-12-15-17(18(2)3)16-13-10-9-11-14-16;/h9-11,13-14,17H,4-8,12,15H2,1-3H3;1H
InChIKeyTXUDFTJIRBLVBJ-UHFFFAOYSA-N
MW283.89 g/mol
LogP5.46
Rot. Bonds9

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

N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride (PubChem CID 173276058) has the molecular formula C17H30ClN and a molecular weight of 283.89 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
PubChem CID173276058
Molecular FormulaC17H30ClN
Molecular Weight283.89 g/mol
Exact Mass283.21
IUPAC NameN,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
SMILESCCCCCCCCC(c1ccccc1)N(C)C.Cl
InChIInChI=1S/C17H29N.ClH/c1-4-5-6-7-8-12-15-17(18(2)3)16-13-10-9-11-14-16;/h9-11,13-14,17H,4-8,12,15H2,1-3H3;1H
InChIKeyTXUDFTJIRBLVBJ-UHFFFAOYSA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.89
LogP ≤ 55.46
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-1-phenylheptan-1-amine
CID 67220027
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride
CID 173104613
N,N-diethyl-1-phenylnonan-1-amine;hydrobromide
CID 175211011
N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide
CID 175213976
N,N-dimethyl-1,3-diphenylheptan-1-amine
CID 165348529
1-phenylheptylphosphane
CID 174874892
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
N-ethyl-N-pentoxy-1-phenyltridecan-1-amine
CID 174435018
(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
CID 141341786

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride (CID 173276058) is N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride is CCCCCCCCC(c1ccccc1)N(C)C.Cl.
What is the InChIKey of N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride?
The InChIKey is TXUDFTJIRBLVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.ClH/c1-4-5-6-7-8-12-15-17(18(2)3)16-13-10-9-11-14-16;/h9-11,13-14,17H,4-8,12,15H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride?
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride has a molecular weight of 283.89 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride is sourced from PubChem (CID 173276058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).