1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine

C19H43N3O3 — CID 121460798

IUPAC1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(C)CNCCCOCCOCCOCCCNCC(C)(C)N
InChIInChI=1S/C19H43N3O3/c1-18(2,3)16-21-8-6-10-23-12-14-25-15-13-24-11-7-9-22-17-19(4,5)20/h21-22H,6-17,20H2,1-5H3
InChIKeyQFMHOJOVJNRYJY-UHFFFAOYSA-N
MW361.57 g/mol
LogP1.78
Rot. Bonds17

About 1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine

1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine (PubChem CID 121460798) has the molecular formula C19H43N3O3 and a molecular weight of 361.57 g/mol. Its IUPAC name is 1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine
PubChem CID121460798
Molecular FormulaC19H43N3O3
Molecular Weight361.57 g/mol
Exact Mass361.33
IUPAC Name1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(C)CNCCCOCCOCCOCCCNCC(C)(C)N
InChIInChI=1S/C19H43N3O3/c1-18(2,3)16-21-8-6-10-23-12-14-25-15-13-24-11-7-9-22-17-19(4,5)20/h21-22H,6-17,20H2,1-5H3
InChIKeyQFMHOJOVJNRYJY-UHFFFAOYSA-N
XLogP1.78
TPSA77.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dimethylpropylamino)propyl formate
CID 87316456
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2,2-dimethylpropan-1-amine
CID 138727338
N'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
N-[1-[3-(2-methoxyethoxy)propylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103409513
2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid
CID 106305482
1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
CID 104985809
methyl 2,2-dimethyl-3-(3-propoxypropylamino)propanoate
CID 82944131
3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid
CID 79629719
2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine
CID 112587455
methyl 4-(2,2-dimethylpropylamino)butanoate
CID 61168407
N-(3-cyclopropylpropyl)-2,2-dimethylpropan-1-amine
CID 115639400
N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine
CID 167242553

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine (CID 121460798) is 1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine is CC(C)(C)CNCCCOCCOCCOCCCNCC(C)(C)N.
What is the InChIKey of 1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine?
The InChIKey is QFMHOJOVJNRYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3O3/c1-18(2,3)16-21-8-6-10-23-12-14-25-15-13-24-11-7-9-22-17-19(4,5)20/h21-22H,6-17,20H2,1-5H3.
What are the key properties of 1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine?
1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine has a molecular weight of 361.57 g/mol, XLogP of 1.78, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-[2-[2-[3-(2,2-dimethylpropylamino)propoxy]ethoxy]ethoxy]propyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 121460798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).