2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine

C14H28N2O — CID 64919097

IUPAC2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine
SMILESCCC(CN)(C1CC1)N(C)CC1CCOCC1
InChIInChI=1S/C14H28N2O/c1-3-14(11-15,13-4-5-13)16(2)10-12-6-8-17-9-7-12/h12-13H,3-11,15H2,1-2H3
InChIKeyJQXQAKGGAMDUTA-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.86
Rot. Bonds6

About 2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine

2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine (PubChem CID 64919097) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine
PubChem CID64919097
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine
SMILESCCC(CN)(C1CC1)N(C)CC1CCOCC1
InChIInChI=1S/C14H28N2O/c1-3-14(11-15,13-4-5-13)16(2)10-12-6-8-17-9-7-12/h12-13H,3-11,15H2,1-2H3
InChIKeyJQXQAKGGAMDUTA-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine (CID 64919097) is 2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine is CCC(CN)(C1CC1)N(C)CC1CCOCC1.
What is the InChIKey of 2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine?
The InChIKey is JQXQAKGGAMDUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-14(11-15,13-4-5-13)16(2)10-12-6-8-17-9-7-12/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine?
2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-methyl-2-N-(oxan-4-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 64919097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).