N'-butan-2-yl-N-ethylethane-1,2-diamine

C8H20N2 — CID 44630785

IUPACN'-butan-2-yl-N-ethylethane-1,2-diamine
SMILESCCNCCNC(C)CC
InChIInChI=1S/C8H20N2/c1-4-8(3)10-7-6-9-5-2/h8-10H,4-7H2,1-3H3
InChIKeyVXXAQVYRFUHUBC-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.98
Rot. Bonds6

About N'-butan-2-yl-N-ethylethane-1,2-diamine

N'-butan-2-yl-N-ethylethane-1,2-diamine (PubChem CID 44630785) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is N'-butan-2-yl-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-ethylethane-1,2-diamine
PubChem CID44630785
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC NameN'-butan-2-yl-N-ethylethane-1,2-diamine
SMILESCCNCCNC(C)CC
InChIInChI=1S/C8H20N2/c1-4-8(3)10-7-6-9-5-2/h8-10H,4-7H2,1-3H3
InChIKeyVXXAQVYRFUHUBC-UHFFFAOYSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.98
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

N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
CID 88982125
N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 130342854
N-ethyl-N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
CID 126619829
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
N-butan-2-yl-3-methylbutan-1-amine;ethane
CID 142990947
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
(2H)iodane;N-propylbutan-2-amine
CID 160782338
CID 172753617
CID 172753617
N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 89197540
N-[2-(butan-2-ylamino)ethyl]ethanesulfonamide
CID 115713390
N-butan-2-yldodecan-1-amine
CID 63489622
N-(2-methoxyethyl)butan-2-amine
CID 43190188

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-ethylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-ethylethane-1,2-diamine (CID 44630785) is N'-butan-2-yl-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-ethylethane-1,2-diamine is CCNCCNC(C)CC.
What is the InChIKey of N'-butan-2-yl-N-ethylethane-1,2-diamine?
The InChIKey is VXXAQVYRFUHUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-8(3)10-7-6-9-5-2/h8-10H,4-7H2,1-3H3.
What are the key properties of N'-butan-2-yl-N-ethylethane-1,2-diamine?
N'-butan-2-yl-N-ethylethane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-ethylethane-1,2-diamine is sourced from PubChem (CID 44630785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).