N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine

C13H30N2 — CID 107445666

IUPACN'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine
SMILESCCC(CC)C(C)NCCNC(C)(C)C
InChIInChI=1S/C13H30N2/c1-7-12(8-2)11(3)14-9-10-15-13(4,5)6/h11-12,14-15H,7-10H2,1-6H3
InChIKeyHOFKYZOCYSGRHS-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.79
Rot. Bonds7

About N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine

N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine (PubChem CID 107445666) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine
PubChem CID107445666
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine
SMILESCCC(CC)C(C)NCCNC(C)(C)C
InChIInChI=1S/C13H30N2/c1-7-12(8-2)11(3)14-9-10-15-13(4,5)6/h11-12,14-15H,7-10H2,1-6H3
InChIKeyHOFKYZOCYSGRHS-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol
CID 79355880
N-(2,2-dimethylpropyl)-3-ethylpentan-2-amine
CID 63842619
N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine
CID 79257480
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 104578137
3-ethyl-N-(3-methoxypropyl)pentan-2-amine
CID 63838999
3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine
CID 114449141
3-[2-(tert-butylamino)ethylamino]butan-1-ol
CID 107446029
copper;N,N'-ditert-butylethane-1,2-diamine;dibromide
CID 160892423
N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine
CID 107446123
3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 104578148
N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
CID 107445725

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine (CID 107445666) is N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine is CCC(CC)C(C)NCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is HOFKYZOCYSGRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-12(8-2)11(3)14-9-10-15-13(4,5)6/h11-12,14-15H,7-10H2,1-6H3.
What are the key properties of N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine?
N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 107445666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).