3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine

C11H22N2 — CID 43810483

IUPAC3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine
SMILESC=CCN(CC=C)C(CN)C(C)C
InChIInChI=1S/C11H22N2/c1-5-7-13(8-6-2)11(9-12)10(3)4/h5-6,10-11H,1-2,7-9,12H2,3-4H3
InChIKeyJIJJWYKEHYXNIF-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds7

About 3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine

3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine (PubChem CID 43810483) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine
PubChem CID43810483
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine
SMILESC=CCN(CC=C)C(CN)C(C)C
InChIInChI=1S/C11H22N2/c1-5-7-13(8-6-2)11(9-12)10(3)4/h5-6,10-11H,1-2,7-9,12H2,3-4H3
InChIKeyJIJJWYKEHYXNIF-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine?
The IUPAC name of 3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine (CID 43810483) is 3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine is C=CCN(CC=C)C(CN)C(C)C.
What is the InChIKey of 3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine?
The InChIKey is JIJJWYKEHYXNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-7-13(8-6-2)11(9-12)10(3)4/h5-6,10-11H,1-2,7-9,12H2,3-4H3.
What are the key properties of 3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine?
3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine is sourced from PubChem (CID 43810483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).