N-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine

C10H20N2O — CID 104760120

IUPACN-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(C)OCCNC1=NCCCC1
InChIInChI=1S/C10H20N2O/c1-9(2)13-8-7-12-10-5-3-4-6-11-10/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyNKYJPTLKVZBANS-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.58
Rot. Bonds4

About N-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 104760120) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID104760120
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(C)OCCNC1=NCCCC1
InChIInChI=1S/C10H20N2O/c1-9(2)13-8-7-12-10-5-3-4-6-11-10/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyNKYJPTLKVZBANS-UHFFFAOYSA-N
XLogP1.58
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 104760120) is N-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine is CC(C)OCCNC1=NCCCC1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is NKYJPTLKVZBANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2)13-8-7-12-10-5-3-4-6-11-10/h9H,3-8H2,1-2H3,(H,11,12).
What are the key properties of N-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 184.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 104760120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).