ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine

C13H32N2O2 — CID 163400199

IUPACethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine
SMILESCC.CCNC=O.COCCCNCC(C)C
InChIInChI=1S/C8H19NO.C3H7NO.C2H6/c1-8(2)7-9-5-4-6-10-3;1-2-4-3-5;1-2/h8-9H,4-7H2,1-3H3;3H,2H2,1H3,(H,4,5);1-2H3
InChIKeyWGFJPBCMWXMDPF-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.05
Rot. Bonds8

About ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine

ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine (PubChem CID 163400199) has the molecular formula C13H32N2O2 and a molecular weight of 248.41 g/mol. Its IUPAC name is ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine
PubChem CID163400199
Molecular FormulaC13H32N2O2
Molecular Weight248.41 g/mol
Exact Mass248.25
IUPAC Nameethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine
SMILESCC.CCNC=O.COCCCNCC(C)C
InChIInChI=1S/C8H19NO.C3H7NO.C2H6/c1-8(2)7-9-5-4-6-10-3;1-2-4-3-5;1-2/h8-9H,4-7H2,1-3H3;3H,2H2,1H3,(H,4,5);1-2H3
InChIKeyWGFJPBCMWXMDPF-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 55072636
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine
CID 65023754
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612
N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine
CID 106513164
N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
CID 62581365
N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine
CID 62453800
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine?
The IUPAC name of ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine (CID 163400199) is ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine.
What is the SMILES notation for ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine?
The canonical SMILES for ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine is CC.CCNC=O.COCCCNCC(C)C.
What is the InChIKey of ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine?
The InChIKey is WGFJPBCMWXMDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.C3H7NO.C2H6/c1-8(2)7-9-5-4-6-10-3;1-2-4-3-5;1-2/h8-9H,4-7H2,1-3H3;3H,2H2,1H3,(H,4,5);1-2H3.
What are the key properties of ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine?
ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine is sourced from PubChem (CID 163400199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).