2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine

C11H26N2 — CID 115714146

IUPAC2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine
SMILESCCC(CC)NCC(CC)N(C)C
InChIInChI=1S/C11H26N2/c1-6-10(7-2)12-9-11(8-3)13(4)5/h10-12H,6-9H2,1-5H3
InChIKeyNCUANXXZBRWQTK-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.10
Rot. Bonds7

About 2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine

2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine (PubChem CID 115714146) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine
PubChem CID115714146
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine
SMILESCCC(CC)NCC(CC)N(C)C
InChIInChI=1S/C11H26N2/c1-6-10(7-2)12-9-11(8-3)13(4)5/h10-12H,6-9H2,1-5H3
InChIKeyNCUANXXZBRWQTK-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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Related Compounds

2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine
CID 115714111
N,2-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
CID 115303228
2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine
CID 115880420
2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine
CID 115971740
2-N-(2-methoxyethyl)-1-N,2-N-di(pentan-3-yl)propane-1,2-diamine
CID 62568197
3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
CID 102904025
2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
CID 115714157
2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 115714105
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N-dimethylbutane-1,2-diamine
CID 115714106
2-N,2-N-dimethyl-1-N-(1-pyridin-3-ylethyl)butane-1,2-diamine
CID 115886281
2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane
CID 155599553
3-methyl-1-(pentan-3-ylamino)butan-2-ol
CID 115720488

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine (CID 115714146) is 2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine is CCC(CC)NCC(CC)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine?
The InChIKey is NCUANXXZBRWQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-10(7-2)12-9-11(8-3)13(4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine?
2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-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 2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine is sourced from PubChem (CID 115714146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).