2,2-dimethyl-4-propoxybutan-1-amine

C9H21NO — CID 65248577

IUPAC2,2-dimethyl-4-propoxybutan-1-amine
SMILESCCCOCCC(C)(C)CN
InChIInChI=1S/C9H21NO/c1-4-6-11-7-5-9(2,3)8-10/h4-8,10H2,1-3H3
InChIKeyBKESKFWRYTVVTD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds6

About 2,2-dimethyl-4-propoxybutan-1-amine

2,2-dimethyl-4-propoxybutan-1-amine (PubChem CID 65248577) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-propoxybutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-propoxybutan-1-amine
PubChem CID65248577
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2,2-dimethyl-4-propoxybutan-1-amine
SMILESCCCOCCC(C)(C)CN
InChIInChI=1S/C9H21NO/c1-4-6-11-7-5-9(2,3)8-10/h4-8,10H2,1-3H3
InChIKeyBKESKFWRYTVVTD-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
CID 104560395
4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
CID 112587280
propyl 3,3-dimethyl-5-propoxypentanoate
CID 153309922
4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine
CID 82003924
methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate
CID 106487837
3,3-difluoro-1-propoxybutane
CID 118261285
2-(aminomethyl)-2-(2-propoxyethyl)pentan-1-ol
CID 106506442
2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane
CID 161233705
6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552
4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine
CID 66323670
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propoxybutan-1-amine?
The IUPAC name of 2,2-dimethyl-4-propoxybutan-1-amine (CID 65248577) is 2,2-dimethyl-4-propoxybutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-propoxybutan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-propoxybutan-1-amine is CCCOCCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-4-propoxybutan-1-amine?
The InChIKey is BKESKFWRYTVVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-6-11-7-5-9(2,3)8-10/h4-8,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-propoxybutan-1-amine?
2,2-dimethyl-4-propoxybutan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propoxybutan-1-amine is sourced from PubChem (CID 65248577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).