3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine

C24H54N4O — CID 88670688

IUPAC3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine
SMILESCC(CN)C(CCCCCCN(C)C)OC(CCCCCCN(C)C)C(C)CN
InChIInChI=1S/C24H54N4O/c1-21(19-25)23(15-11-7-9-13-17-27(3)4)29-24(22(2)20-26)16-12-8-10-14-18-28(5)6/h21-24H,7-20,25-26H2,1-6H3
InChIKeyOGPPJWQRSRPBEB-UHFFFAOYSA-N
MW414.72 g/mol
LogP3.95
Rot. Bonds20

About 3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine

3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine (PubChem CID 88670688) has the molecular formula C24H54N4O and a molecular weight of 414.72 g/mol. Its IUPAC name is 3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine.

Molecular Properties

Compound Name3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine
PubChem CID88670688
Molecular FormulaC24H54N4O
Molecular Weight414.72 g/mol
Exact Mass414.43
IUPAC Name3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine
SMILESCC(CN)C(CCCCCCN(C)C)OC(CCCCCCN(C)C)C(C)CN
InChIInChI=1S/C24H54N4O/c1-21(19-25)23(15-11-7-9-13-17-27(3)4)29-24(22(2)20-26)16-12-8-10-14-18-28(5)6/h21-24H,7-20,25-26H2,1-6H3
InChIKeyOGPPJWQRSRPBEB-UHFFFAOYSA-N
XLogP3.95
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.72
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-amino-9-(dimethylamino)nonan-3-yl]oxy-N',N'-dimethylnonane-1,9-diamine
CID 88657090
N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
1-N,1-N-dimethyloctane-1,5-diamine
CID 118262358
1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine
CID 170658406
N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine
CID 88621765
N',N'-dimethylpentane-1,5-diamine
CID 3465925
N',N'-dimethylicosane-1,20-diamine
CID 54351766
N',N'-dimethylheptane-1,7-diamine
CID 3822076
2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine
CID 63693434
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
N,N,N',N',2-pentamethylhexane-1,6-diamine
CID 161408283
1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine
CID 63693646

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine?
The IUPAC name of 3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine (CID 88670688) is 3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine.
What is the SMILES notation for 3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine?
The canonical SMILES for 3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine is CC(CN)C(CCCCCCN(C)C)OC(CCCCCCN(C)C)C(C)CN.
What is the InChIKey of 3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine?
The InChIKey is OGPPJWQRSRPBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N4O/c1-21(19-25)23(15-11-7-9-13-17-27(3)4)29-24(22(2)20-26)16-12-8-10-14-18-28(5)6/h21-24H,7-20,25-26H2,1-6H3.
What are the key properties of 3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine?
3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine has a molecular weight of 414.72 g/mol, XLogP of 3.95, 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)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine is sourced from PubChem (CID 88670688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).