N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine

C12H28N2O — CID 62459512

IUPACN-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)OCCCN(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)9-13-10-12(3)15-8-6-7-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeySGYXUTYACJFHOQ-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds9

About N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine

N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine (PubChem CID 62459512) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine
PubChem CID62459512
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)OCCCN(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)9-13-10-12(3)15-8-6-7-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeySGYXUTYACJFHOQ-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine 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

2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63725131
2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine
CID 62458457
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
2-N-(3-methoxypropyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63008851
N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine
CID 62453800
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
CID 63725817
2-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)propyl]propan-1-amine
CID 62460018
2-butoxy-N-ethylpropan-1-amine
CID 62449884
CID 175939227
CID 175939227
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054328
N,N-dimethyl-3-pentan-3-yloxypropan-1-amine
CID 126576057
N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine
CID 62572976

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine (CID 62459512) is N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine is CC(C)CNCC(C)OCCCN(C)C.
What is the InChIKey of N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine?
The InChIKey is SGYXUTYACJFHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2)9-13-10-12(3)15-8-6-7-14(4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine?
N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62459512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).