2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen

C16H37NO2 — CID 158253210

IUPAC2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen
SMILESCC(C)CCCOCCCOCCCNCC(C)C.[H][H]
InChIInChI=1S/C16H35NO2.H2/c1-15(2)8-5-10-18-12-7-13-19-11-6-9-17-14-16(3)4;/h15-17H,5-14H2,1-4H3;1H
InChIKeyGGYTYDQFZDSZIN-UHFFFAOYSA-N
MW275.48 g/mol
LogP3.73
Rot. Bonds14

About 2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen

2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen (PubChem CID 158253210) has the molecular formula C16H37NO2 and a molecular weight of 275.48 g/mol. Its IUPAC name is 2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen
PubChem CID158253210
Molecular FormulaC16H37NO2
Molecular Weight275.48 g/mol
Exact Mass275.28
IUPAC Name2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen
SMILESCC(C)CCCOCCCOCCCNCC(C)C.[H][H]
InChIInChI=1S/C16H35NO2.H2/c1-15(2)8-5-10-18-12-7-13-19-11-6-9-17-14-16(3)4;/h15-17H,5-14H2,1-4H3;1H
InChIKeyGGYTYDQFZDSZIN-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen
CID 157169252
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
5-(4-methylpentoxy)-2-[(2-methylpropylamino)methyl]pentanoic acid;molecular hydrogen
CID 159075229
3-(4-methylpentoxy)-N-prop-2-enylpropan-1-amine
CID 164556992
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine
CID 112587455
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
N-[3-(4-methylpentoxy)propyl]formamide
CID 167156422

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen?
The IUPAC name of 2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen (CID 158253210) is 2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen is CC(C)CCCOCCCOCCCNCC(C)C.[H][H].
What is the InChIKey of 2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen?
The InChIKey is GGYTYDQFZDSZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2.H2/c1-15(2)8-5-10-18-12-7-13-19-11-6-9-17-14-16(3)4;/h15-17H,5-14H2,1-4H3;1H.
What are the key properties of 2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen?
2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen has a molecular weight of 275.48 g/mol, XLogP of 3.73, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen is sourced from PubChem (CID 158253210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).