tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine

C14H30N2O2 — CID 142327095

IUPACtert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)(C)OC=O.CNC1CCCN(C(C)C)C1
InChIInChI=1S/C9H20N2.C5H10O2/c1-8(2)11-6-4-5-9(7-11)10-3;1-5(2,3)7-4-6/h8-10H,4-7H2,1-3H3;4H,1-3H3
InChIKeyKJAKHSSODVYKDN-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.04
Rot. Bonds3

About tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine

tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine (PubChem CID 142327095) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Nametert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine
PubChem CID142327095
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)(C)OC=O.CNC1CCCN(C(C)C)C1
InChIInChI=1S/C9H20N2.C5H10O2/c1-8(2)11-6-4-5-9(7-11)10-3;1-5(2,3)7-4-6/h8-10H,4-7H2,1-3H3;4H,1-3H3
InChIKeyKJAKHSSODVYKDN-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine?
The IUPAC name of tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine (CID 142327095) is tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine?
The canonical SMILES for tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine is CC(C)(C)OC=O.CNC1CCCN(C(C)C)C1.
What is the InChIKey of tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine?
The InChIKey is KJAKHSSODVYKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C5H10O2/c1-8(2)11-6-4-5-9(7-11)10-3;1-5(2,3)7-4-6/h8-10H,4-7H2,1-3H3;4H,1-3H3.
What are the key properties of tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine?
tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine has a molecular weight of 258.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 142327095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).