N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine

C14H26N2O — CID 115713726

IUPACN-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCOCC(C)C)CC1
InChIInChI=1S/C14H26N2O/c1-4-8-16-9-5-14(6-10-16)15-7-11-17-12-13(2)3/h1,13-15H,5-12H2,2-3H3
InChIKeyHORJYYLRVOWBBF-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.35
Rot. Bonds7

About N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine

N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine (PubChem CID 115713726) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
PubChem CID115713726
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCOCC(C)C)CC1
InChIInChI=1S/C14H26N2O/c1-4-8-16-9-5-14(6-10-16)15-7-11-17-12-13(2)3/h1,13-15H,5-12H2,2-3H3
InChIKeyHORJYYLRVOWBBF-UHFFFAOYSA-N
XLogP1.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 103082637
N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine
CID 43765302
N-(3-methylsulfinylbutyl)-1-prop-2-ynylpiperidin-4-amine
CID 115894458
N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 43758404
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
CID 97230823
N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 103903238
N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 54860858
N-(3-methylsulfinylpropyl)-1-prop-2-ynylpiperidin-4-amine
CID 115721039
N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine
CID 55013087

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine (CID 115713726) is N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCCOCC(C)C)CC1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is HORJYYLRVOWBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-8-16-9-5-14(6-10-16)15-7-11-17-12-13(2)3/h1,13-15H,5-12H2,2-3H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine?
N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 238.37 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 115713726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).