2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine

C18H39N3 — CID 62258867

IUPAC2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine
SMILESCCC(CC)(CNC(C)C)CN1CCC(CN(C)C)CC1
InChIInChI=1S/C18H39N3/c1-7-18(8-2,14-19-16(3)4)15-21-11-9-17(10-12-21)13-20(5)6/h16-17,19H,7-15H2,1-6H3
InChIKeyCQQJVJWQZVUXRY-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.06
Rot. Bonds9

About 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine

2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine (PubChem CID 62258867) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine
PubChem CID62258867
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine
SMILESCCC(CC)(CNC(C)C)CN1CCC(CN(C)C)CC1
InChIInChI=1S/C18H39N3/c1-7-18(8-2,14-19-16(3)4)15-21-11-9-17(10-12-21)13-20(5)6/h16-17,19H,7-15H2,1-6H3
InChIKeyCQQJVJWQZVUXRY-UHFFFAOYSA-N
XLogP3.06
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 65003733
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66453045
N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine
CID 62259717
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal
CID 62278515
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 64828332
2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol
CID 64828333
1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 65000008
4-[(dimethylamino)methyl]-N-propan-2-ylpiperidine-1-carbothioamide
CID 115583584
1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine
CID 104745397
1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-4-ol
CID 62263890
2-ethyl-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 63274400
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine
CID 62554564

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine (CID 62258867) is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine is CCC(CC)(CNC(C)C)CN1CCC(CN(C)C)CC1.
What is the InChIKey of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is CQQJVJWQZVUXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-7-18(8-2,14-19-16(3)4)15-21-11-9-17(10-12-21)13-20(5)6/h16-17,19H,7-15H2,1-6H3.
What are the key properties of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine?
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62258867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).