N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane

C14H31NO3 — CID 155751635

IUPACN-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane
SMILESCC(C)C.CCCCOCCOCCN(C)C=O
InChIInChI=1S/C10H21NO3.C4H10/c1-3-4-6-13-8-9-14-7-5-11(2)10-12;1-4(2)3/h10H,3-9H2,1-2H3;4H,1-3H3
InChIKeyHRZHMVISUZMQFT-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.57
Rot. Bonds10

About N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane

N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane (PubChem CID 155751635) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane.

Molecular Properties

Compound NameN-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane
PubChem CID155751635
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC NameN-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane
SMILESCC(C)C.CCCCOCCOCCN(C)C=O
InChIInChI=1S/C10H21NO3.C4H10/c1-3-4-6-13-8-9-14-7-5-11(2)10-12;1-4(2)3/h10H,3-9H2,1-2H3;4H,1-3H3
InChIKeyHRZHMVISUZMQFT-UHFFFAOYSA-N
XLogP2.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide
CID 156860349
N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylformamide
CID 163400129
N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane
CID 155751068
N-methyl-N-tetradecylformamide
CID 10422507
acetaldehyde;1-butoxybutane;propanal
CID 174934477
3-[2-(2-butoxyethoxy)ethoxy]propanal
CID 158726364
1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine
CID 63759164
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid
CID 104564781
N-(2-butoxyethyl)-N-methylacetamide
CID 155404672
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane?
The IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane (CID 155751635) is N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane.
What is the SMILES notation for N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane?
The canonical SMILES for N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane is CC(C)C.CCCCOCCOCCN(C)C=O.
What is the InChIKey of N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane?
The InChIKey is HRZHMVISUZMQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3.C4H10/c1-3-4-6-13-8-9-14-7-5-11(2)10-12;1-4(2)3/h10H,3-9H2,1-2H3;4H,1-3H3.
What are the key properties of N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane?
N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane has a molecular weight of 261.41 g/mol, XLogP of 2.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane is sourced from PubChem (CID 155751635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).