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

C16H34N2O — CID 55098092

IUPACN,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
SMILESCCCOC1CCCN(CCC(NC)C(C)(C)C)C1
InChIInChI=1S/C16H34N2O/c1-6-12-19-14-8-7-10-18(13-14)11-9-15(17-5)16(2,3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyZXGXWHHVPOPLJN-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds7

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

N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine (PubChem CID 55098092) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
PubChem CID55098092
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
SMILESCCCOC1CCCN(CCC(NC)C(C)(C)C)C1
InChIInChI=1S/C16H34N2O/c1-6-12-19-14-8-7-10-18(13-14)11-9-15(17-5)16(2,3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyZXGXWHHVPOPLJN-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 62624096
2-methyl-2-(methylamino)-4-(3-propoxypiperidin-1-yl)butan-1-ol
CID 64827408
2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol
CID 64827022
N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine
CID 62623158
5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine
CID 62558297
4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 62411709
N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
CID 62563284
methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate
CID 63054326
1-(3-bromo-2,2-dimethylpropyl)-3-propoxypiperidine
CID 65000316
2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol
CID 114495488
N-(2-ethoxyethyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 55089422
N-[2-(3-propoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 63098996

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine?
The IUPAC name of N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine (CID 55098092) is N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine.
What is the SMILES notation for N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine?
The canonical SMILES for N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine is CCCOC1CCCN(CCC(NC)C(C)(C)C)C1.
What is the InChIKey of N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine?
The InChIKey is ZXGXWHHVPOPLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-12-19-14-8-7-10-18(13-14)11-9-15(17-5)16(2,3)4/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine?
N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine is sourced from PubChem (CID 55098092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).