N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine

C17H36N2O — CID 62624096

IUPACN-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
SMILESCCCOC1CCCN(CCC(NCC)C(C)(C)C)C1
InChIInChI=1S/C17H36N2O/c1-6-13-20-15-9-8-11-19(14-15)12-10-16(18-7-2)17(3,4)5/h15-16,18H,6-14H2,1-5H3
InChIKeyGBKVAXRCNILPTK-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds8

About N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine

N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine (PubChem CID 62624096) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
PubChem CID62624096
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
SMILESCCCOC1CCCN(CCC(NCC)C(C)(C)C)C1
InChIInChI=1S/C17H36N2O/c1-6-13-20-15-9-8-11-19(14-15)12-10-16(18-7-2)17(3,4)5/h15-16,18H,6-14H2,1-5H3
InChIKeyGBKVAXRCNILPTK-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 55098092
methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate
CID 63054326
5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine
CID 62558297
N-(2-ethoxyethyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 55089422
2-methyl-2-(methylamino)-4-(3-propoxypiperidin-1-yl)butan-1-ol
CID 64827408
N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
CID 103502662
N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
CID 62563284
4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 62411709
4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62557776
1-(3-bromo-2,2-dimethylpropyl)-3-propoxypiperidine
CID 65000316
2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol
CID 114495488
1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 62623024

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine (CID 62624096) is N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine is CCCOC1CCCN(CCC(NCC)C(C)(C)C)C1.
What is the InChIKey of N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine?
The InChIKey is GBKVAXRCNILPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-13-20-15-9-8-11-19(14-15)12-10-16(18-7-2)17(3,4)5/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine?
N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine is sourced from PubChem (CID 62624096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).