1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine

C12H26N2 — CID 62422950

IUPAC1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
SMILESCCN(C(C)CNC(C)(C)C)C1CC1
InChIInChI=1S/C12H26N2/c1-6-14(11-7-8-11)10(2)9-13-12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyCNLMVFGPKZCCRF-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds5

About 1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine

1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine (PubChem CID 62422950) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
PubChem CID62422950
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
SMILESCCN(C(C)CNC(C)(C)C)C1CC1
InChIInChI=1S/C12H26N2/c1-6-14(11-7-8-11)10(2)9-13-12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyCNLMVFGPKZCCRF-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine (CID 62422950) is 1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine is CCN(C(C)CNC(C)(C)C)C1CC1.
What is the InChIKey of 1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine?
The InChIKey is CNLMVFGPKZCCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-14(11-7-8-11)10(2)9-13-12(3,4)5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine?
1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine is sourced from PubChem (CID 62422950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).