N-butyl-1-tert-butyl-N-ethylazetidin-3-amine

C13H28N2 — CID 170254720

IUPACN-butyl-1-tert-butyl-N-ethylazetidin-3-amine
SMILESCCCCN(CC)C1CN(C(C)(C)C)C1
InChIInChI=1S/C13H28N2/c1-6-8-9-14(7-2)12-10-15(11-12)13(3,4)5/h12H,6-11H2,1-5H3
InChIKeyCHAXHUBLMQRBQQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.59
Rot. Bonds5

About N-butyl-1-tert-butyl-N-ethylazetidin-3-amine

N-butyl-1-tert-butyl-N-ethylazetidin-3-amine (PubChem CID 170254720) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-butyl-1-tert-butyl-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-butyl-1-tert-butyl-N-ethylazetidin-3-amine
PubChem CID170254720
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-butyl-1-tert-butyl-N-ethylazetidin-3-amine
SMILESCCCCN(CC)C1CN(C(C)(C)C)C1
InChIInChI=1S/C13H28N2/c1-6-8-9-14(7-2)12-10-15(11-12)13(3,4)5/h12H,6-11H2,1-5H3
InChIKeyCHAXHUBLMQRBQQ-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-tert-butyl-N-ethylazetidin-3-amine?
The IUPAC name of N-butyl-1-tert-butyl-N-ethylazetidin-3-amine (CID 170254720) is N-butyl-1-tert-butyl-N-ethylazetidin-3-amine.
What is the SMILES notation for N-butyl-1-tert-butyl-N-ethylazetidin-3-amine?
The canonical SMILES for N-butyl-1-tert-butyl-N-ethylazetidin-3-amine is CCCCN(CC)C1CN(C(C)(C)C)C1.
What is the InChIKey of N-butyl-1-tert-butyl-N-ethylazetidin-3-amine?
The InChIKey is CHAXHUBLMQRBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-8-9-14(7-2)12-10-15(11-12)13(3,4)5/h12H,6-11H2,1-5H3.
What are the key properties of N-butyl-1-tert-butyl-N-ethylazetidin-3-amine?
N-butyl-1-tert-butyl-N-ethylazetidin-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-tert-butyl-N-ethylazetidin-3-amine is sourced from PubChem (CID 170254720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).