1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine

C11H25N3 — CID 80560519

IUPAC1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine
SMILESCC(C)C(CN(C)C)NC1CC(N)C1
InChIInChI=1S/C11H25N3/c1-8(2)11(7-14(3)4)13-10-5-9(12)6-10/h8-11,13H,5-7,12H2,1-4H3
InChIKeyGXINVCCDPSDCSF-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.65
Rot. Bonds5

About 1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine

1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine (PubChem CID 80560519) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine
PubChem CID80560519
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine
SMILESCC(C)C(CN(C)C)NC1CC(N)C1
InChIInChI=1S/C11H25N3/c1-8(2)11(7-14(3)4)13-10-5-9(12)6-10/h8-11,13H,5-7,12H2,1-4H3
InChIKeyGXINVCCDPSDCSF-UHFFFAOYSA-N
XLogP0.65
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine (CID 80560519) is 1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine is CC(C)C(CN(C)C)NC1CC(N)C1.
What is the InChIKey of 1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine?
The InChIKey is GXINVCCDPSDCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-8(2)11(7-14(3)4)13-10-5-9(12)6-10/h8-11,13H,5-7,12H2,1-4H3.
What are the key properties of 1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine?
1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine is sourced from PubChem (CID 80560519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).