2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine

C14H31NO — CID 62725135

IUPAC2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
SMILESCCCNCC(C)(C)CCOCCC(C)C
InChIInChI=1S/C14H31NO/c1-6-9-15-12-14(4,5)8-11-16-10-7-13(2)3/h13,15H,6-12H2,1-5H3
InChIKeyVANXFDBSUYCQJM-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds10

About 2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine

2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine (PubChem CID 62725135) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
PubChem CID62725135
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
SMILESCCCNCC(C)(C)CCOCCC(C)C
InChIInChI=1S/C14H31NO/c1-6-9-15-12-14(4,5)8-11-16-10-7-13(2)3/h13,15H,6-12H2,1-5H3
InChIKeyVANXFDBSUYCQJM-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.46
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

2-cyclopropyl-2-methyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 83160505
2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 138459549
1-chloro-2,2-dimethyl-4-(3-methylbutoxy)butane
CID 66060403
2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine
CID 79626272
2,2,5-trimethyl-N-propylhexane-1,6-diamine
CID 19427160
N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 62724021
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine
CID 83159399
4-ethoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62725159
2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol
CID 66187180
2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62725155
2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine
CID 63508789

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine?
The IUPAC name of 2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine (CID 62725135) is 2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine is CCCNCC(C)(C)CCOCCC(C)C.
What is the InChIKey of 2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine?
The InChIKey is VANXFDBSUYCQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-9-15-12-14(4,5)8-11-16-10-7-13(2)3/h13,15H,6-12H2,1-5H3.
What are the key properties of 2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine?
2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine is sourced from PubChem (CID 62725135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).