2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine

C14H31NO — CID 106452237

IUPAC2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine
SMILESCCCCCC(C)(C)CNCCOCCC
InChIInChI=1S/C14H31NO/c1-5-7-8-9-14(3,4)13-15-10-12-16-11-6-2/h15H,5-13H2,1-4H3
InChIKeyRTRHQYROQGNGQT-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds11

About 2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine

2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine (PubChem CID 106452237) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine
PubChem CID106452237
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine
SMILESCCCCCC(C)(C)CNCCOCCC
InChIInChI=1S/C14H31NO/c1-5-7-8-9-14(3,4)13-15-10-12-16-11-6-2/h15H,5-13H2,1-4H3
InChIKeyRTRHQYROQGNGQT-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
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

N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol
CID 104562724
2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine
CID 79626272
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine
CID 116680290
N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine
CID 167242553
1-(3,3-dimethylnonoxy)-3,3-dimethylnonane
CID 174611784
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine (CID 106452237) is 2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine is CCCCCC(C)(C)CNCCOCCC.
What is the InChIKey of 2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine?
The InChIKey is RTRHQYROQGNGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-7-8-9-14(3,4)13-15-10-12-16-11-6-2/h15H,5-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine?
2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine is sourced from PubChem (CID 106452237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).