3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine

C17H36N2 — CID 66453199

IUPAC3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine
SMILESCCCNC(C)C(C)(C)CN1CCC(CCC)CC1
InChIInChI=1S/C17H36N2/c1-6-8-16-9-12-19(13-10-16)14-17(4,5)15(3)18-11-7-2/h15-16,18H,6-14H2,1-5H3
InChIKeyWMAGOINRCXSQJW-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds8

About 3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine

3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine (PubChem CID 66453199) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine
PubChem CID66453199
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine
SMILESCCCNC(C)C(C)(C)CN1CCC(CCC)CC1
InChIInChI=1S/C17H36N2/c1-6-8-16-9-12-19(13-10-16)14-17(4,5)15(3)18-11-7-2/h15-16,18H,6-14H2,1-5H3
InChIKeyWMAGOINRCXSQJW-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine
CID 66453174
4-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66454747
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 79945323
N-propyl-3-(4-propylpiperidin-1-yl)butan-2-amine
CID 62201089
2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile
CID 62206650
1-methoxy-N-propyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 107505652
3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine
CID 102745787
N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine
CID 66453823
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66454058
1-[3-(ethylamino)-2,2-dimethylbutyl]-3-methylpiperidin-4-ol
CID 114681950
2-methyl-1-(4-propylpiperidin-1-yl)pentan-2-amine
CID 62204904
1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 66454535

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine (CID 66453199) is 3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine is CCCNC(C)C(C)(C)CN1CCC(CCC)CC1.
What is the InChIKey of 3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine?
The InChIKey is WMAGOINRCXSQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-8-16-9-12-19(13-10-16)14-17(4,5)15(3)18-11-7-2/h15-16,18H,6-14H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine?
3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 8 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-4-(4-propylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 66453199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).