N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine

C17H35N3O — CID 62463360

IUPACN-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(CN2CCN(C(C)(C)C)CC2)O1
InChIInChI=1S/C17H35N3O/c1-14(2)18-12-15-6-7-16(21-15)13-19-8-10-20(11-9-19)17(3,4)5/h14-16,18H,6-13H2,1-5H3
InChIKeyHUMZZTNLMACFHE-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.95
Rot. Bonds5

About N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine

N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine (PubChem CID 62463360) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
PubChem CID62463360
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(CN2CCN(C(C)(C)C)CC2)O1
InChIInChI=1S/C17H35N3O/c1-14(2)18-12-15-6-7-16(21-15)13-19-8-10-20(11-9-19)17(3,4)5/h14-16,18H,6-13H2,1-5H3
InChIKeyHUMZZTNLMACFHE-UHFFFAOYSA-N
XLogP1.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine (CID 62463360) is N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine is CC(C)NCC1CCC(CN2CCN(C(C)(C)C)CC2)O1.
What is the InChIKey of N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is HUMZZTNLMACFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-14(2)18-12-15-6-7-16(21-15)13-19-8-10-20(11-9-19)17(3,4)5/h14-16,18H,6-13H2,1-5H3.
What are the key properties of N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 297.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62463360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).