N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine

C14H25N3 — CID 91337811

IUPACN-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCC(C)N(CCNC(C)(C)C)c1ccccn1
InChIInChI=1S/C14H25N3/c1-12(2)17(11-10-16-14(3,4)5)13-8-6-7-9-15-13/h6-9,12,16H,10-11H2,1-5H3
InChIKeyLSOHUZMETNGQRC-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.68
Rot. Bonds5

About N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine

N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 91337811) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID91337811
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCC(C)N(CCNC(C)(C)C)c1ccccn1
InChIInChI=1S/C14H25N3/c1-12(2)17(11-10-16-14(3,4)5)13-8-6-7-9-15-13/h6-9,12,16H,10-11H2,1-5H3
InChIKeyLSOHUZMETNGQRC-UHFFFAOYSA-N
XLogP2.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine (CID 91337811) is N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine is CC(C)N(CCNC(C)(C)C)c1ccccn1.
What is the InChIKey of N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is LSOHUZMETNGQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)17(11-10-16-14(3,4)5)13-8-6-7-9-15-13/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine?
N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 91337811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).