2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine

C16H33N3 — CID 62270790

IUPAC2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(CNC(C)C)CN1CCN(C2CC2)CC1
InChIInChI=1S/C16H33N3/c1-5-16(4,12-17-14(2)3)13-18-8-10-19(11-9-18)15-6-7-15/h14-15,17H,5-13H2,1-4H3
InChIKeyQCJPEFVDDQFBOT-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds7

About 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine

2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 62270790) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID62270790
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(CNC(C)C)CN1CCN(C2CC2)CC1
InChIInChI=1S/C16H33N3/c1-5-16(4,12-17-14(2)3)13-18-8-10-19(11-9-18)15-6-7-15/h14-15,17H,5-13H2,1-4H3
InChIKeyQCJPEFVDDQFBOT-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine (CID 62270790) is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine is CCC(C)(CNC(C)C)CN1CCN(C2CC2)CC1.
What is the InChIKey of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is QCJPEFVDDQFBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-16(4,12-17-14(2)3)13-18-8-10-19(11-9-18)15-6-7-15/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62270790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).