2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine

C17H39N3 — CID 11033430

IUPAC2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine
SMILESCC(C)CNCC(C)(CNCC(C)C)CNCC(C)C
InChIInChI=1S/C17H39N3/c1-14(2)8-18-11-17(7,12-19-9-15(3)4)13-20-10-16(5)6/h14-16,18-20H,8-13H2,1-7H3
InChIKeyOUTADEQAQYCYRC-UHFFFAOYSA-N
MW285.52 g/mol
LogP2.73
Rot. Bonds12

About 2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine

2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine (PubChem CID 11033430) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is 2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine
PubChem CID11033430
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC Name2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine
SMILESCC(C)CNCC(C)(CNCC(C)C)CNCC(C)C
InChIInChI=1S/C17H39N3/c1-14(2)8-18-11-17(7,12-19-9-15(3)4)13-20-10-16(5)6/h14-16,18-20H,8-13H2,1-7H3
InChIKeyOUTADEQAQYCYRC-UHFFFAOYSA-N
XLogP2.73
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine?
The IUPAC name of 2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine (CID 11033430) is 2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine?
The canonical SMILES for 2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine is CC(C)CNCC(C)(CNCC(C)C)CNCC(C)C.
What is the InChIKey of 2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine?
The InChIKey is OUTADEQAQYCYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-14(2)8-18-11-17(7,12-19-9-15(3)4)13-20-10-16(5)6/h14-16,18-20H,8-13H2,1-7H3.
What are the key properties of 2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine?
2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine has a molecular weight of 285.52 g/mol, XLogP of 2.73, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine is sourced from PubChem (CID 11033430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).