N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine

C19H43N3O — CID 137434900

IUPACN-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine
SMILESCC(C)OC(C)(C)CC(C)(C)NCCN(C)CCNC(C)(C)C
InChIInChI=1S/C19H43N3O/c1-16(2)23-19(8,9)15-18(6,7)21-12-14-22(10)13-11-20-17(3,4)5/h16,20-21H,11-15H2,1-10H3
InChIKeyQJUMTMNPARNGGO-UHFFFAOYSA-N
MW329.57 g/mol
LogP3.27
Rot. Bonds11

About N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine

N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine (PubChem CID 137434900) has the molecular formula C19H43N3O and a molecular weight of 329.57 g/mol. Its IUPAC name is N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine
PubChem CID137434900
Molecular FormulaC19H43N3O
Molecular Weight329.57 g/mol
Exact Mass329.34
IUPAC NameN-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine
SMILESCC(C)OC(C)(C)CC(C)(C)NCCN(C)CCNC(C)(C)C
InChIInChI=1S/C19H43N3O/c1-16(2)23-19(8,9)15-18(6,7)21-12-14-22(10)13-11-20-17(3,4)5/h16,20-21H,11-15H2,1-10H3
InChIKeyQJUMTMNPARNGGO-UHFFFAOYSA-N
XLogP3.27
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine (CID 137434900) is N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine is CC(C)OC(C)(C)CC(C)(C)NCCN(C)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is QJUMTMNPARNGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3O/c1-16(2)23-19(8,9)15-18(6,7)21-12-14-22(10)13-11-20-17(3,4)5/h16,20-21H,11-15H2,1-10H3.
What are the key properties of N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine?
N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 329.57 g/mol, XLogP of 3.27, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 137434900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).