2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen

C20H41NO4 — CID 156795110

IUPAC2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
SMILESCCC(C)C#CCOCCOCCOCCOCCNCC(C)CC.[H][H]
InChIInChI=1S/C20H39NO4.H2/c1-5-19(3)8-7-10-22-12-14-24-16-17-25-15-13-23-11-9-21-18-20(4)6-2;/h19-21H,5-6,9-18H2,1-4H3;1H
InChIKeyNBTRWTLTHCHHQM-UHFFFAOYSA-N
MW359.55 g/mol
LogP2.98
Rot. Bonds17

About 2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen

2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen (PubChem CID 156795110) has the molecular formula C20H41NO4 and a molecular weight of 359.55 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
PubChem CID156795110
Molecular FormulaC20H41NO4
Molecular Weight359.55 g/mol
Exact Mass359.30
IUPAC Name2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
SMILESCCC(C)C#CCOCCOCCOCCOCCNCC(C)CC.[H][H]
InChIInChI=1S/C20H39NO4.H2/c1-5-19(3)8-7-10-22-12-14-24-16-17-25-15-13-23-11-9-21-18-20(4)6-2;/h19-21H,5-6,9-18H2,1-4H3;1H
InChIKeyNBTRWTLTHCHHQM-UHFFFAOYSA-N
XLogP2.98
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2-methylbutan-1-amine;molecular hydrogen
CID 156794535
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-1-amine
CID 142623041
2-methyl-N-(2-undecoxyethyl)butan-1-amine
CID 22091443
N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 166554710
2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 177320418
ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine
CID 170709372
N-[2-(cyclopropylmethoxy)ethyl]-2-methylbutan-1-amine
CID 103897079
ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 168959349
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178164668
2-methyl-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propan-1-amine
CID 146640685

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen?
The IUPAC name of 2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen (CID 156795110) is 2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen is CCC(C)C#CCOCCOCCOCCOCCNCC(C)CC.[H][H].
What is the InChIKey of 2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen?
The InChIKey is NBTRWTLTHCHHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO4.H2/c1-5-19(3)8-7-10-22-12-14-24-16-17-25-15-13-23-11-9-21-18-20(4)6-2;/h19-21H,5-6,9-18H2,1-4H3;1H.
What are the key properties of 2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen?
2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen has a molecular weight of 359.55 g/mol, XLogP of 2.98, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen is sourced from PubChem (CID 156795110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).