N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine

C14H25N7O — CID 144572072

IUPACN'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CC(CCn1cnc2c(N)ncnc21)OC
InChIInChI=1S/C14H25N7O/c1-16-5-7-20(2)8-11(22-3)4-6-21-10-19-12-13(15)17-9-18-14(12)21/h9-11,16H,4-8H2,1-3H3,(H2,15,17,18)
InChIKeySEEIGWOFSXMHFR-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.04
Rot. Bonds9

About N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine

N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 144572072) has the molecular formula C14H25N7O and a molecular weight of 307.40 g/mol. Its IUPAC name is N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID144572072
Molecular FormulaC14H25N7O
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC NameN'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CC(CCn1cnc2c(N)ncnc21)OC
InChIInChI=1S/C14H25N7O/c1-16-5-7-20(2)8-11(22-3)4-6-21-10-19-12-13(15)17-9-18-14(12)21/h9-11,16H,4-8H2,1-3H3,(H2,15,17,18)
InChIKeySEEIGWOFSXMHFR-UHFFFAOYSA-N
XLogP-0.04
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073
9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine
CID 164882038
9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 68636068
9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine
CID 12994167
9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine
CID 170584752
9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine
CID 62897430
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
CID 69303040
CID 69303040
2-acetyloxy-4-(6-aminopurin-9-yl)butanoic acid
CID 163729575

Frequently Asked Questions

What is the IUPAC name of N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine (CID 144572072) is N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)CC(CCn1cnc2c(N)ncnc21)OC.
What is the InChIKey of N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is SEEIGWOFSXMHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7O/c1-16-5-7-20(2)8-11(22-3)4-6-21-10-19-12-13(15)17-9-18-14(12)21/h9-11,16H,4-8H2,1-3H3,(H2,15,17,18).
What are the key properties of N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine?
N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 307.40 g/mol, XLogP of -0.04, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 144572072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).