1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine

C11H24N2 — CID 167503397

IUPAC1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine
SMILESCCC(CN(C)CC)NC1(C)CC1
InChIInChI=1S/C11H24N2/c1-5-10(9-13(4)6-2)12-11(3)7-8-11/h10,12H,5-9H2,1-4H3
InChIKeyQPUVEXZCXNMFLE-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds6

About 1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine

1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine (PubChem CID 167503397) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine
PubChem CID167503397
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine
SMILESCCC(CN(C)CC)NC1(C)CC1
InChIInChI=1S/C11H24N2/c1-5-10(9-13(4)6-2)12-11(3)7-8-11/h10,12H,5-9H2,1-4H3
InChIKeyQPUVEXZCXNMFLE-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine (CID 167503397) is 1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine is CCC(CN(C)CC)NC1(C)CC1.
What is the InChIKey of 1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine?
The InChIKey is QPUVEXZCXNMFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-5-10(9-13(4)6-2)12-11(3)7-8-11/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine?
1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methyl-2-N-(1-methylcyclopropyl)butane-1,2-diamine is sourced from PubChem (CID 167503397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).