1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine

C14H31N3O — CID 169213807

IUPAC1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine
SMILESCCC(C)CNCCOCCN1CCC(N)CC1
InChIInChI=1S/C14H31N3O/c1-3-13(2)12-16-6-10-18-11-9-17-7-4-14(15)5-8-17/h13-14,16H,3-12,15H2,1-2H3
InChIKeySRMLYDGRKLZPNR-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.06
Rot. Bonds9

About 1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine

1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine (PubChem CID 169213807) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine
PubChem CID169213807
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine
SMILESCCC(C)CNCCOCCN1CCC(N)CC1
InChIInChI=1S/C14H31N3O/c1-3-13(2)12-16-6-10-18-11-9-17-7-4-14(15)5-8-17/h13-14,16H,3-12,15H2,1-2H3
InChIKeySRMLYDGRKLZPNR-UHFFFAOYSA-N
XLogP1.06
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.06
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-[2-(3-methylpentylamino)ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-amine
CID 169214943
1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine
CID 166169205
N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen
CID 171539223
N-[2-(cyclopropylmethoxy)ethyl]-2-methylbutan-1-amine
CID 103897079
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 153390614
N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
CID 148587851
1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane
CID 156883236
2-methyl-N-(2-undecoxyethyl)butan-1-amine
CID 22091443
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine (CID 169213807) is 1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine is CCC(C)CNCCOCCN1CCC(N)CC1.
What is the InChIKey of 1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine?
The InChIKey is SRMLYDGRKLZPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-3-13(2)12-16-6-10-18-11-9-17-7-4-14(15)5-8-17/h13-14,16H,3-12,15H2,1-2H3.
What are the key properties of 1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine?
1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine has a molecular weight of 257.42 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methylbutylamino)ethoxy]ethyl]piperidin-4-amine is sourced from PubChem (CID 169213807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).