N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine

C29H69N3O — CID 163258201

IUPACN,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine
SMILESCC.CC.CC.CC.CC(C)N1CCCC(CN(C)C)C1.COCC1CCCN(C(C)C)C1
InChIInChI=1S/C11H24N2.C10H21NO.4C2H6/c1-10(2)13-7-5-6-11(9-13)8-12(3)4;1-9(2)11-6-4-5-10(7-11)8-12-3;4*1-2/h10-11H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;4*1-2H3
InChIKeyJMQUUGWSQMCZLR-UHFFFAOYSA-N
MW475.89 g/mol
LogP7.53
Rot. Bonds6

About N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine

N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine (PubChem CID 163258201) has the molecular formula C29H69N3O and a molecular weight of 475.89 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine
PubChem CID163258201
Molecular FormulaC29H69N3O
Molecular Weight475.89 g/mol
Exact Mass475.54
IUPAC NameN,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine
SMILESCC.CC.CC.CC.CC(C)N1CCCC(CN(C)C)C1.COCC1CCCN(C(C)C)C1
InChIInChI=1S/C11H24N2.C10H21NO.4C2H6/c1-10(2)13-7-5-6-11(9-13)8-12(3)4;1-9(2)11-6-4-5-10(7-11)8-12-3;4*1-2/h10-11H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;4*1-2H3
InChIKeyJMQUUGWSQMCZLR-UHFFFAOYSA-N
XLogP7.53
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.89
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine?
The IUPAC name of N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine (CID 163258201) is N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine?
The canonical SMILES for N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine is CC.CC.CC.CC.CC(C)N1CCCC(CN(C)C)C1.COCC1CCCN(C(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine?
The InChIKey is JMQUUGWSQMCZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C10H21NO.4C2H6/c1-10(2)13-7-5-6-11(9-13)8-12(3)4;1-9(2)11-6-4-5-10(7-11)8-12-3;4*1-2/h10-11H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;4*1-2H3.
What are the key properties of N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine?
N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine has a molecular weight of 475.89 g/mol, XLogP of 7.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 163258201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).