N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine

C15H23NO — CID 123162383

IUPACN,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine
SMILESC=C(CCCCN(C)C)OCc1ccccc1
InChIInChI=1S/C15H23NO/c1-14(9-7-8-12-16(2)3)17-13-15-10-5-4-6-11-15/h4-6,10-11H,1,7-9,12-13H2,2-3H3
InChIKeyHBPSHRBJBSWZMN-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.45
Rot. Bonds8

About N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine

N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine (PubChem CID 123162383) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine
PubChem CID123162383
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine
SMILESC=C(CCCCN(C)C)OCc1ccccc1
InChIInChI=1S/C15H23NO/c1-14(9-7-8-12-16(2)3)17-13-15-10-5-4-6-11-15/h4-6,10-11H,1,7-9,12-13H2,2-3H3
InChIKeyHBPSHRBJBSWZMN-UHFFFAOYSA-N
XLogP3.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl 5-(dimethylamino)pentanoate
CID 66632292
3-[11-(dimethylamino)undecanoyl-phenylmethoxyamino]propanoic acid
CID 151814442
methyl 5-[methyl(phenylmethoxycarbonyl)amino]pentanoate
CID 139381333
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
benzyl 12-oxotridecanoate
CID 21035822
benzyl 5-[ethyl(propyl)amino]pentanoate
CID 168985583
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl 4-[1-amino-4-(dimethylamino)butyl]benzoate
CID 69028657
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine?
The IUPAC name of N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine (CID 123162383) is N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine.
What is the SMILES notation for N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine?
The canonical SMILES for N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine is C=C(CCCCN(C)C)OCc1ccccc1.
What is the InChIKey of N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine?
The InChIKey is HBPSHRBJBSWZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(9-7-8-12-16(2)3)17-13-15-10-5-4-6-11-15/h4-6,10-11H,1,7-9,12-13H2,2-3H3.
What are the key properties of N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine?
N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-phenylmethoxyhex-5-en-1-amine is sourced from PubChem (CID 123162383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).