N'-butan-2-ylethane-1,2-diamine;ethane

C8H22N2 — CID 142992990

IUPACN'-butan-2-ylethane-1,2-diamine;ethane
SMILESCC.CCC(C)NCCN
InChIInChI=1S/C6H16N2.C2H6/c1-3-6(2)8-5-4-7;1-2/h6,8H,3-5,7H2,1-2H3;1-2H3
InChIKeyWFAUOIWFQJRYHQ-UHFFFAOYSA-N
MW146.28 g/mol
LogP1.36
Rot. Bonds4

About N'-butan-2-ylethane-1,2-diamine;ethane

N'-butan-2-ylethane-1,2-diamine;ethane (PubChem CID 142992990) has the molecular formula C8H22N2 and a molecular weight of 146.28 g/mol. Its IUPAC name is N'-butan-2-ylethane-1,2-diamine;ethane.

Molecular Properties

Compound NameN'-butan-2-ylethane-1,2-diamine;ethane
PubChem CID142992990
Molecular FormulaC8H22N2
Molecular Weight146.28 g/mol
Exact Mass146.18
IUPAC NameN'-butan-2-ylethane-1,2-diamine;ethane
SMILESCC.CCC(C)NCCN
InChIInChI=1S/C6H16N2.C2H6/c1-3-6(2)8-5-4-7;1-2/h6,8H,3-5,7H2,1-2H3;1-2H3
InChIKeyWFAUOIWFQJRYHQ-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 172753617
CID 172753617
N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 130342854
N-butan-2-yl-3-methylbutan-1-amine;ethane
CID 142990947
N-(3-fluoropropyl)butan-2-amine
CID 81107286
N-butan-2-yl-N',N'-dipropylethane-1,2-diamine
CID 54809596
(2H)iodane;N-propylbutan-2-amine
CID 160782338
N'-butan-2-yl-N-ethylethane-1,2-diamine
CID 44630785
(butan-2-ylamino)methanol;ethane
CID 143420847
N'-(1-iodoethyl)ethane-1,2-diamine
CID 89021038
1-N-butan-2-yl-2-N-propylpropane-1,2-diamine
CID 62568833
N-butan-2-yldodecan-1-amine
CID 63489622
(2S)-4-(butan-2-ylamino)butan-2-ol
CID 130638354

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-ylethane-1,2-diamine;ethane?
The IUPAC name of N'-butan-2-ylethane-1,2-diamine;ethane (CID 142992990) is N'-butan-2-ylethane-1,2-diamine;ethane.
What is the SMILES notation for N'-butan-2-ylethane-1,2-diamine;ethane?
The canonical SMILES for N'-butan-2-ylethane-1,2-diamine;ethane is CC.CCC(C)NCCN.
What is the InChIKey of N'-butan-2-ylethane-1,2-diamine;ethane?
The InChIKey is WFAUOIWFQJRYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C2H6/c1-3-6(2)8-5-4-7;1-2/h6,8H,3-5,7H2,1-2H3;1-2H3.
What are the key properties of N'-butan-2-ylethane-1,2-diamine;ethane?
N'-butan-2-ylethane-1,2-diamine;ethane has a molecular weight of 146.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-ylethane-1,2-diamine;ethane is sourced from PubChem (CID 142992990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).