2,2-dimethyl-N-phenylmethoxyheptan-3-amine

C16H27NO — CID 15416347

IUPAC2,2-dimethyl-N-phenylmethoxyheptan-3-amine
SMILESCCCCC(NOCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H27NO/c1-5-6-12-15(16(2,3)4)17-18-13-14-10-8-7-9-11-14/h7-11,15,17H,5-6,12-13H2,1-4H3
InChIKeyKNBKMESKEJWGNH-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.31
Rot. Bonds7

About 2,2-dimethyl-N-phenylmethoxyheptan-3-amine

2,2-dimethyl-N-phenylmethoxyheptan-3-amine (PubChem CID 15416347) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-phenylmethoxyheptan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-phenylmethoxyheptan-3-amine
PubChem CID15416347
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2,2-dimethyl-N-phenylmethoxyheptan-3-amine
SMILESCCCCC(NOCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H27NO/c1-5-6-12-15(16(2,3)4)17-18-13-14-10-8-7-9-11-14/h7-11,15,17H,5-6,12-13H2,1-4H3
InChIKeyKNBKMESKEJWGNH-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylmethoxyheptan-2-amine
CID 82709260
(2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid
CID 142647385
2-methylhexan-2-yloxymethylbenzene
CID 134222440
benzyl 2-butylhexanoate
CID 175287311
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
(2S)-1-phenyl-N-phenylmethoxybutan-2-amine
CID 124575121
4-phenyl-N-phenylmethoxybutan-2-amine
CID 82709894
3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine
CID 82712727
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
3-hydroxy-3-methyl-2-(phenylmethoxyamino)butanoic acid
CID 175063252
2-(phenylmethoxycarbamoyl)heptanoic acid
CID 87592184
benzyl 2-ethylhexanoate;hydrochloride
CID 141200166

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-phenylmethoxyheptan-3-amine?
The IUPAC name of 2,2-dimethyl-N-phenylmethoxyheptan-3-amine (CID 15416347) is 2,2-dimethyl-N-phenylmethoxyheptan-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-phenylmethoxyheptan-3-amine?
The canonical SMILES for 2,2-dimethyl-N-phenylmethoxyheptan-3-amine is CCCCC(NOCc1ccccc1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-phenylmethoxyheptan-3-amine?
The InChIKey is KNBKMESKEJWGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-6-12-15(16(2,3)4)17-18-13-14-10-8-7-9-11-14/h7-11,15,17H,5-6,12-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-phenylmethoxyheptan-3-amine?
2,2-dimethyl-N-phenylmethoxyheptan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-phenylmethoxyheptan-3-amine is sourced from PubChem (CID 15416347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).