1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine

C18H39N3O2 — CID 153390614

IUPAC1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)CNCCOCCOCCN1CCC(NC(C)C)CC1
InChIInChI=1S/C18H39N3O2/c1-16(2)15-19-7-11-22-13-14-23-12-10-21-8-5-18(6-9-21)20-17(3)4/h16-20H,5-15H2,1-4H3
InChIKeyXMYKCGZYQBUVHD-UHFFFAOYSA-N
MW329.53 g/mol
LogP1.73
Rot. Bonds13

About 1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine

1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 153390614) has the molecular formula C18H39N3O2 and a molecular weight of 329.53 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
PubChem CID153390614
Molecular FormulaC18H39N3O2
Molecular Weight329.53 g/mol
Exact Mass329.30
IUPAC Name1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)CNCCOCCOCCN1CCC(NC(C)C)CC1
InChIInChI=1S/C18H39N3O2/c1-16(2)15-19-7-11-22-13-14-23-12-10-21-8-5-18(6-9-21)20-17(3)4/h16-20H,5-15H2,1-4H3
InChIKeyXMYKCGZYQBUVHD-UHFFFAOYSA-N
XLogP1.73
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 51.73
H-Bond Donors ≤ 52
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-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 155405108
2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138728006
N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
CID 148587851
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
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]methyl]propan-1-amine
CID 62591338
1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine
CID 169213807
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
CID 155741227
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine (CID 153390614) is 1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine is CC(C)CNCCOCCOCCN1CCC(NC(C)C)CC1.
What is the InChIKey of 1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine?
The InChIKey is XMYKCGZYQBUVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3O2/c1-16(2)15-19-7-11-22-13-14-23-12-10-21-8-5-18(6-9-21)20-17(3)4/h16-20H,5-15H2,1-4H3.
What are the key properties of 1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine?
1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 329.53 g/mol, XLogP of 1.73, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 153390614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).