N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine

C9H21NO — CID 547395

IUPACN,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCN(C)CCCOC(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)11-8-6-7-10(4)5/h6-8H2,1-5H3
InChIKeyQNVJUBCNTSZRRL-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.75
Rot. Bonds4

About N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine

N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine (PubChem CID 547395) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
PubChem CID547395
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCN(C)CCCOC(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)11-8-6-7-10(4)5/h6-8H2,1-5H3
InChIKeyQNVJUBCNTSZRRL-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Propanamine, 3,3'-oxybis[N,N-dimethyl-
CID 12295923
3-Ethoxy-N,N-dimethylpropylamine
CID 91374
Trimethyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium
CID 46900
N,N-bis(2-fluoroethyl)-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 147298784
N,N-Dimethyl-2-tert-butoxyethylamine
CID 547220
N,N-Dimethyl-3-butoxypropylamine
CID 547393
N,N-Dimethyl-3-isopropoxypropylamine
CID 547394
3-methoxy-N,N,2,2-tetramethylpropan-1-amine
CID 345949
3-ethoxy-N,N-dimethylbutan-1-amine
CID 12572546
3-[4-(dimethylamino)butan-2-yloxy]-N,N-dimethylbutan-1-amine
CID 19362275
3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine
CID 20603113
N,N-diethyl-3-propan-2-yloxypropan-1-amine
CID 20742864

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine (CID 547395) is N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine is CN(C)CCCOC(C)(C)C.
What is the InChIKey of N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The InChIKey is QNVJUBCNTSZRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(2,3)11-8-6-7-10(4)5/h6-8H2,1-5H3.
What are the key properties of N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine is sourced from PubChem (CID 547395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).