N-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine

C12H26N2O — CID 60853771

IUPACN-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCCC(C)NCCN(C)C1CCOCC1
InChIInChI=1S/C12H26N2O/c1-4-11(2)13-7-8-14(3)12-5-9-15-10-6-12/h11-13H,4-10H2,1-3H3
InChIKeyXIMPALFTEUKCHD-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About N-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine

N-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 60853771) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
PubChem CID60853771
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCCC(C)NCCN(C)C1CCOCC1
InChIInChI=1S/C12H26N2O/c1-4-11(2)13-7-8-14(3)12-5-9-15-10-6-12/h11-13H,4-10H2,1-3H3
InChIKeyXIMPALFTEUKCHD-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine (CID 60853771) is N-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine is CCC(C)NCCN(C)C1CCOCC1.
What is the InChIKey of N-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is XIMPALFTEUKCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-11(2)13-7-8-14(3)12-5-9-15-10-6-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
N-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 60853771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).