N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide

C17H25N5O — CID 143906258

IUPACN'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide
SMILESCOc1cc2ccccc2cc1C(CCN(C)C)N(N)/N=C\N
InChIInChI=1S/C17H25N5O/c1-21(2)9-8-16(22(19)20-12-18)15-10-13-6-4-5-7-14(13)11-17(15)23-3/h4-7,10-12,16H,8-9,19H2,1-3H3,(H2,18,20)
InChIKeyPTXPHLJVASDRAC-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.92
Rot. Bonds7

About N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide

N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide (PubChem CID 143906258) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide.

Molecular Properties

Compound NameN'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide
PubChem CID143906258
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide
SMILESCOc1cc2ccccc2cc1C(CCN(C)C)N(N)/N=C\N
InChIInChI=1S/C17H25N5O/c1-21(2)9-8-16(22(19)20-12-18)15-10-13-6-4-5-7-14(13)11-17(15)23-3/h4-7,10-12,16H,8-9,19H2,1-3H3,(H2,18,20)
InChIKeyPTXPHLJVASDRAC-UHFFFAOYSA-N
XLogP1.92
TPSA80.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[amino-[3-(dimethylamino)-1-(4-methylnaphthalen-1-yl)propyl]amino]methanimidamide
CID 143906289
3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine
CID 143906361
N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide
CID 143906298
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
1-(2,4-dimethoxyphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346589
(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
CID 59167065
N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide
CID 143906351
3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
CID 44541078
1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
CID 112508474
2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol
CID 10635838
CID 90433687
CID 90433687
3-hydrazinyl-3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 105259246

Frequently Asked Questions

What is the IUPAC name of N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide?
The IUPAC name of N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide (CID 143906258) is N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide.
What is the SMILES notation for N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide?
The canonical SMILES for N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide is COc1cc2ccccc2cc1C(CCN(C)C)N(N)/N=C\N.
What is the InChIKey of N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide?
The InChIKey is PTXPHLJVASDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-21(2)9-8-16(22(19)20-12-18)15-10-13-6-4-5-7-14(13)11-17(15)23-3/h4-7,10-12,16H,8-9,19H2,1-3H3,(H2,18,20).
What are the key properties of N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide?
N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide has a molecular weight of 315.42 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino-[3-(dimethylamino)-1-(3-methoxynaphthalen-2-yl)propyl]amino]methanimidamide is sourced from PubChem (CID 143906258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).