N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine

C16H35N3O2 — CID 148587851

IUPACN-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCCN1CCN(CCOCCOCCNCC(C)C)CC1
InChIInChI=1S/C16H35N3O2/c1-4-18-6-8-19(9-7-18)10-12-21-14-13-20-11-5-17-15-16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyNABCISXFDQXJDW-UHFFFAOYSA-N
MW301.48 g/mol
LogP0.90
Rot. Bonds12

About N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine

N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine (PubChem CID 148587851) has the molecular formula C16H35N3O2 and a molecular weight of 301.48 g/mol. Its IUPAC name is N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
PubChem CID148587851
Molecular FormulaC16H35N3O2
Molecular Weight301.48 g/mol
Exact Mass301.27
IUPAC NameN-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCCN1CCN(CCOCCOCCNCC(C)C)CC1
InChIInChI=1S/C16H35N3O2/c1-4-18-6-8-19(9-7-18)10-12-21-14-13-20-11-5-17-15-16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyNABCISXFDQXJDW-UHFFFAOYSA-N
XLogP0.90
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 153390614
2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine
CID 57222400
N-methyl-1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]azetidin-3-amine
CID 142623048
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 155582630
N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine
CID 142623137
N-(2-butoxyethyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 62574670
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155751864
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
(2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol
CID 167242879
1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine
CID 169213807
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine (CID 148587851) is N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine is CCN1CCN(CCOCCOCCNCC(C)C)CC1.
What is the InChIKey of N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine?
The InChIKey is NABCISXFDQXJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O2/c1-4-18-6-8-19(9-7-18)10-12-21-14-13-20-11-5-17-15-16(2)3/h16-17H,4-15H2,1-3H3.
What are the key properties of N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine?
N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine has a molecular weight of 301.48 g/mol, XLogP of 0.90, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 148587851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).