3-N-ethyl-3-N-propylbutane-2,3-diamine

C9H22N2 — CID 61353173

IUPAC3-N-ethyl-3-N-propylbutane-2,3-diamine
SMILESCCCN(CC)C(C)C(C)N
InChIInChI=1S/C9H22N2/c1-5-7-11(6-2)9(4)8(3)10/h8-9H,5-7,10H2,1-4H3
InChIKeyWXQHJFPNVZASTO-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.45
Rot. Bonds5

About 3-N-ethyl-3-N-propylbutane-2,3-diamine

3-N-ethyl-3-N-propylbutane-2,3-diamine (PubChem CID 61353173) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 3-N-ethyl-3-N-propylbutane-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-propylbutane-2,3-diamine
PubChem CID61353173
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name3-N-ethyl-3-N-propylbutane-2,3-diamine
SMILESCCCN(CC)C(C)C(C)N
InChIInChI=1S/C9H22N2/c1-5-7-11(6-2)9(4)8(3)10/h8-9H,5-7,10H2,1-4H3
InChIKeyWXQHJFPNVZASTO-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine
CID 61448111
2-N-ethyl-2-N-propylpropane-1,2-diamine
CID 43268522
1-N'-ethyl-1-N'-propylethane-1,1,2-triamine
CID 178182208
ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
N,N-dipropylbutan-2-amine
CID 524229
1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
CID 141222296
1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55015975
(2R)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 103934466
N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 126661238
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
N,N,N',N'-tetrapropyl-1-silylmethanediamine
CID 174173151
N-ethyl-5-methyl-N-propylhex-3-yn-2-amine
CID 142317670

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-propylbutane-2,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-propylbutane-2,3-diamine (CID 61353173) is 3-N-ethyl-3-N-propylbutane-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-propylbutane-2,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-propylbutane-2,3-diamine is CCCN(CC)C(C)C(C)N.
What is the InChIKey of 3-N-ethyl-3-N-propylbutane-2,3-diamine?
The InChIKey is WXQHJFPNVZASTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-7-11(6-2)9(4)8(3)10/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 3-N-ethyl-3-N-propylbutane-2,3-diamine?
3-N-ethyl-3-N-propylbutane-2,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-propylbutane-2,3-diamine is sourced from PubChem (CID 61353173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).