N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen

C16H39N3O2 — CID 171539223

IUPACN-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen
SMILESCC.CCC(C)C(=O)NCCOCCN1CCC(N)CC1.[H][H].[H][H]
InChIInChI=1S/C14H29N3O2.C2H6.2H2/c1-3-12(2)14(18)16-6-10-19-11-9-17-7-4-13(15)5-8-17;1-2;;/h12-13H,3-11,15H2,1-2H3,(H,16,18);1-2H3;2*1H
InChIKeyFWLKNTQIFAUYMP-UHFFFAOYSA-N
MW305.51 g/mol
LogP2.11
Rot. Bonds8

About N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen

N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen (PubChem CID 171539223) has the molecular formula C16H39N3O2 and a molecular weight of 305.51 g/mol. Its IUPAC name is N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen
PubChem CID171539223
Molecular FormulaC16H39N3O2
Molecular Weight305.51 g/mol
Exact Mass305.30
IUPAC NameN-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen
SMILESCC.CCC(C)C(=O)NCCOCCN1CCC(N)CC1.[H][H].[H][H]
InChIInChI=1S/C14H29N3O2.C2H6.2H2/c1-3-12(2)14(18)16-6-10-19-11-9-17-7-4-13(15)5-8-17;1-2;;/h12-13H,3-11,15H2,1-2H3,(H,16,18);1-2H3;2*1H
InChIKeyFWLKNTQIFAUYMP-UHFFFAOYSA-N
XLogP2.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine
CID 169213807
1-[2-[2-[2-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine
CID 169214943
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
CID 63869286
2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide
CID 129181028
1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine
CID 166169205
2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138728006
1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane
CID 156883236
ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen
CID 169215012
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
2-methyl-N-[2-(4-methylpentoxy)ethyl]butanamide
CID 156530460

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen?
The IUPAC name of N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen (CID 171539223) is N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen.
What is the SMILES notation for N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen?
The canonical SMILES for N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen is CC.CCC(C)C(=O)NCCOCCN1CCC(N)CC1.[H][H].[H][H].
What is the InChIKey of N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen?
The InChIKey is FWLKNTQIFAUYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2.C2H6.2H2/c1-3-12(2)14(18)16-6-10-19-11-9-17-7-4-13(15)5-8-17;1-2;;/h12-13H,3-11,15H2,1-2H3,(H,16,18);1-2H3;2*1H.
What are the key properties of N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen?
N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen has a molecular weight of 305.51 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen is sourced from PubChem (CID 171539223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).