(4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide

C14H23N3O — CID 163437990

IUPAC(4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide
SMILESC/N=C(/CC[C@@H](N)Cc1ccc(OC)cc1)NC
InChIInChI=1S/C14H23N3O/c1-16-14(17-2)9-6-12(15)10-11-4-7-13(18-3)8-5-11/h4-5,7-8,12H,6,9-10,15H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyAWDIHLYGPJZRBU-GFCCVEGCSA-N
MW249.36 g/mol
LogP1.59
Rot. Bonds6

About (4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide

(4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide (PubChem CID 163437990) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide.

Molecular Properties

Compound Name(4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide
PubChem CID163437990
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide
SMILESC/N=C(/CC[C@@H](N)Cc1ccc(OC)cc1)NC
InChIInChI=1S/C14H23N3O/c1-16-14(17-2)9-6-12(15)10-11-4-7-13(18-3)8-5-11/h4-5,7-8,12H,6,9-10,15H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyAWDIHLYGPJZRBU-GFCCVEGCSA-N
XLogP1.59
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
N-amino-3-(4-methoxyphenyl)-N'-methylpropanimidamide
CID 61362269
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
CID 89360253
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980
methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
CID 10889521
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide?
The IUPAC name of (4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide (CID 163437990) is (4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide.
What is the SMILES notation for (4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide?
The canonical SMILES for (4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide is C/N=C(/CC[C@@H](N)Cc1ccc(OC)cc1)NC.
What is the InChIKey of (4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide?
The InChIKey is AWDIHLYGPJZRBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-14(17-2)9-6-12(15)10-11-4-7-13(18-3)8-5-11/h4-5,7-8,12H,6,9-10,15H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide?
(4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide has a molecular weight of 249.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide is sourced from PubChem (CID 163437990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).