3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine

C22H50N4O — CID 88657090

IUPAC3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine
SMILESCN(C)CCCCCCC(CCN)OC(CCN)CCCCCCN(C)C
InChIInChI=1S/C22H50N4O/c1-25(2)19-11-7-5-9-13-21(15-17-23)27-22(16-18-24)14-10-6-8-12-20-26(3)4/h21-22H,5-20,23-24H2,1-4H3
InChIKeyPJGIGTHGHXTYSP-UHFFFAOYSA-N
MW386.67 g/mol
LogP3.46
Rot. Bonds20

About 3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine

3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine (PubChem CID 88657090) has the molecular formula C22H50N4O and a molecular weight of 386.67 g/mol. Its IUPAC name is 3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine.

Molecular Properties

Compound Name3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine
PubChem CID88657090
Molecular FormulaC22H50N4O
Molecular Weight386.67 g/mol
Exact Mass386.40
IUPAC Name3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine
SMILESCN(C)CCCCCCC(CCN)OC(CCN)CCCCCCN(C)C
InChIInChI=1S/C22H50N4O/c1-25(2)19-11-7-5-9-13-21(15-17-23)27-22(16-18-24)14-10-6-8-12-20-26(3)4/h21-22H,5-20,23-24H2,1-4H3
InChIKeyPJGIGTHGHXTYSP-UHFFFAOYSA-N
XLogP3.46
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.67
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-dimethylicosane-1,20-diamine
CID 54351766
N',N'-dimethylheptane-1,7-diamine
CID 3822076
N',N'-dimethylpentane-1,5-diamine
CID 3465925
3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine
CID 88670688
N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine
CID 88621765
N',N'-dimethylbutane-1,4-diamine;silane
CID 162130960
N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
1-N,1-N-dimethyloctane-1,5-diamine
CID 118262358
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
6-tricosan-6-yloxytricosane
CID 57279617
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
3-heptadecan-9-yloxy-N,N-dimethylpropan-1-amine
CID 140938522

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine?
The IUPAC name of 3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine (CID 88657090) is 3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine.
What is the SMILES notation for 3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine?
The canonical SMILES for 3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine is CN(C)CCCCCCC(CCN)OC(CCN)CCCCCCN(C)C.
What is the InChIKey of 3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine?
The InChIKey is PJGIGTHGHXTYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50N4O/c1-25(2)19-11-7-5-9-13-21(15-17-23)27-22(16-18-24)14-10-6-8-12-20-26(3)4/h21-22H,5-20,23-24H2,1-4H3.
What are the key properties of 3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine?
3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine has a molecular weight of 386.67 g/mol, XLogP of 3.46, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine is sourced from PubChem (CID 88657090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).