3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine

C17H37N3 — CID 62778148

IUPAC3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine
SMILESCCCNC(CN1CCN(CC(C)C)CC1)C(C)(C)C
InChIInChI=1S/C17H37N3/c1-7-8-18-16(17(4,5)6)14-20-11-9-19(10-12-20)13-15(2)3/h15-16,18H,7-14H2,1-6H3
InChIKeyIHNQZKCYYVDYNJ-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.67
Rot. Bonds7

About 3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine

3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine (PubChem CID 62778148) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine
PubChem CID62778148
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine
SMILESCCCNC(CN1CCN(CC(C)C)CC1)C(C)(C)C
InChIInChI=1S/C17H37N3/c1-7-8-18-16(17(4,5)6)14-20-11-9-19(10-12-20)13-15(2)3/h15-16,18H,7-14H2,1-6H3
InChIKeyIHNQZKCYYVDYNJ-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine (CID 62778148) is 3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine is CCCNC(CN1CCN(CC(C)C)CC1)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine?
The InChIKey is IHNQZKCYYVDYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-7-8-18-16(17(4,5)6)14-20-11-9-19(10-12-20)13-15(2)3/h15-16,18H,7-14H2,1-6H3.
What are the key properties of 3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine?
3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine is sourced from PubChem (CID 62778148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).