2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine

C12H28N2 — CID 62420464

IUPAC2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC)C(CC)CNC(C)C
InChIInChI=1S/C12H28N2/c1-6-9-14(8-3)12(7-2)10-13-11(4)5/h11-13H,6-10H2,1-5H3
InChIKeyQJXALMLSJUIJGD-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.49
Rot. Bonds8

About 2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine

2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine (PubChem CID 62420464) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
PubChem CID62420464
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC)C(CC)CNC(C)C
InChIInChI=1S/C12H28N2/c1-6-9-14(8-3)12(7-2)10-13-11(4)5/h11-13H,6-10H2,1-5H3
InChIKeyQJXALMLSJUIJGD-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62439025
2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62430407
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62422151
2-N-ethyl-3-methoxy-2-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103226108
2-N,2-N-diethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62438662
ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine
CID 142596203
2-N-cyclopropyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 83043131
N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62411413
2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 112665572
2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072255
N,N-dipropylbutan-2-amine
CID 524229
2-N-cyclopropyl-2-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62429365

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine (CID 62420464) is 2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine is CCCN(CC)C(CC)CNC(C)C.
What is the InChIKey of 2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
The InChIKey is QJXALMLSJUIJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-9-14(8-3)12(7-2)10-13-11(4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine?
2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62420464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).