1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine

C13H27N3O — CID 114106107

IUPAC1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine
SMILESCC1OCCC1CNCCN1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-11-12(4-9-17-11)10-15-5-8-16-6-2-13(14)3-7-16/h11-13,15H,2-10,14H2,1H3
InChIKeyZGFKBISEHJHGFG-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.42
Rot. Bonds5

About 1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine

1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine (PubChem CID 114106107) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine
PubChem CID114106107
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine
SMILESCC1OCCC1CNCCN1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-11-12(4-9-17-11)10-15-5-8-16-6-2-13(14)3-7-16/h11-13,15H,2-10,14H2,1H3
InChIKeyZGFKBISEHJHGFG-UHFFFAOYSA-N
XLogP0.42
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.42
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

N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
CID 145422276
N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine
CID 114104999
trans-(1S,2S)-2-[(2-pyrrolidin-1-ylethylamino)methyl]cyclohexan-1-amine
CID 66594466
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386351
N-[(2-methyloxolan-3-yl)methyl]butan-2-amine
CID 79760229
N-[(2-methyloxolan-3-yl)methyl]-3-phenylbutan-1-amine
CID 114104984
3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine
CID 130486482
N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 82836463
1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]piperidin-4-amine
CID 79327606
N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide
CID 119908725
(2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
CID 104867499
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63978168

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine (CID 114106107) is 1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine is CC1OCCC1CNCCN1CCC(N)CC1.
What is the InChIKey of 1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine?
The InChIKey is ZGFKBISEHJHGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11-12(4-9-17-11)10-15-5-8-16-6-2-13(14)3-7-16/h11-13,15H,2-10,14H2,1H3.
What are the key properties of 1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine?
1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine has a molecular weight of 241.38 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine is sourced from PubChem (CID 114106107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).