N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine

C12H28N2O — CID 107444739

IUPACN'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
SMILESCC(C)OCCCNCCNC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)15-10-6-7-13-8-9-14-12(3,4)5/h11,13-14H,6-10H2,1-5H3
InChIKeyLTPOKVJNUSDVQM-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.78
Rot. Bonds8

About N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine

N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine (PubChem CID 107444739) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
PubChem CID107444739
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
SMILESCC(C)OCCCNCCNC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)15-10-6-7-13-8-9-14-12(3,4)5/h11,13-14H,6-10H2,1-5H3
InChIKeyLTPOKVJNUSDVQM-UHFFFAOYSA-N
XLogP1.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(3-propan-2-yloxypropoxy)propyl]propan-2-amine
CID 166769035
3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
N-tert-butyl-4-(2-propan-2-yloxyethoxy)butan-1-amine
CID 62457092
2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine
CID 146520233
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 142737750
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine
CID 149204249
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
2-(3-propan-2-yloxypropylamino)acetonitrile
CID 94826859
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 113427495
N-methyl-3-propan-2-yloxypropan-1-amine
CID 19842664

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine (CID 107444739) is N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine is CC(C)OCCCNCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The InChIKey is LTPOKVJNUSDVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2)15-10-6-7-13-8-9-14-12(3,4)5/h11,13-14H,6-10H2,1-5H3.
What are the key properties of N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 107444739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).