3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine

C17H36N2 — CID 114592822

IUPAC3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
SMILESCCCNC(CN1CC(C)CC(C)C1C)C(C)(C)C
InChIInChI=1S/C17H36N2/c1-8-9-18-16(17(5,6)7)12-19-11-13(2)10-14(3)15(19)4/h13-16,18H,8-12H2,1-7H3
InChIKeyOMQPAZDCJHLZBL-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds5

About 3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine

3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine (PubChem CID 114592822) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
PubChem CID114592822
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
SMILESCCCNC(CN1CC(C)CC(C)C1C)C(C)(C)C
InChIInChI=1S/C17H36N2/c1-8-9-18-16(17(5,6)7)12-19-11-13(2)10-14(3)15(19)4/h13-16,18H,8-12H2,1-7H3
InChIKeyOMQPAZDCJHLZBL-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
CID 107505960
2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597539
2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile
CID 114596282
ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596345
4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine
CID 63624701
4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine
CID 114539613
2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol
CID 114594601
3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine
CID 62778148
2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline
CID 114597196
N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine
CID 114596807
2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid
CID 114593995
1-methoxy-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
CID 114593853

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine (CID 114592822) is 3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine is CCCNC(CN1CC(C)CC(C)C1C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine?
The InChIKey is OMQPAZDCJHLZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-8-9-18-16(17(5,6)7)12-19-11-13(2)10-14(3)15(19)4/h13-16,18H,8-12H2,1-7H3.
What are the key properties of 3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine?
3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 114592822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).