3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine

C11H26N2 — CID 62420325

IUPAC3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine
SMILESCCC(C)N(CC)C(C)CCNC
InChIInChI=1S/C11H26N2/c1-6-10(3)13(7-2)11(4)8-9-12-5/h10-12H,6-9H2,1-5H3
InChIKeyCXYDVUVQLNGTAL-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.10
Rot. Bonds7

About 3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine

3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine (PubChem CID 62420325) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine
PubChem CID62420325
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine
SMILESCCC(C)N(CC)C(C)CCNC
InChIInChI=1S/C11H26N2/c1-6-10(3)13(7-2)11(4)8-9-12-5/h10-12H,6-9H2,1-5H3
InChIKeyCXYDVUVQLNGTAL-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine (CID 62420325) is 3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine is CCC(C)N(CC)C(C)CCNC.
What is the InChIKey of 3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine?
The InChIKey is CXYDVUVQLNGTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-10(3)13(7-2)11(4)8-9-12-5/h10-12H,6-9H2,1-5H3.
What are the key properties of 3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine?
3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-3-N-ethyl-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 62420325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).