N-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine

C22H49N3 — CID 18364435

IUPACN-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(CCCNCCCN(CC(C)C)CC(C)C)CC(C)C
InChIInChI=1S/C22H49N3/c1-19(2)15-24(16-20(3)4)13-9-11-23-12-10-14-25(17-21(5)6)18-22(7)8/h19-23H,9-18H2,1-8H3
InChIKeyYZVVIHFCOIKFNF-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.58
Rot. Bonds16

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

N-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine (PubChem CID 18364435) has the molecular formula C22H49N3 and a molecular weight of 355.66 g/mol. Its IUPAC name is N-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine
PubChem CID18364435
Molecular FormulaC22H49N3
Molecular Weight355.66 g/mol
Exact Mass355.39
IUPAC NameN-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(CCCNCCCN(CC(C)C)CC(C)C)CC(C)C
InChIInChI=1S/C22H49N3/c1-19(2)15-24(16-20(3)4)13-9-11-23-12-10-14-25(17-21(5)6)18-22(7)8/h19-23H,9-18H2,1-8H3
InChIKeyYZVVIHFCOIKFNF-UHFFFAOYSA-N
XLogP4.58
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine (CID 18364435) is N-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine is CC(C)CN(CCCNCCCN(CC(C)C)CC(C)C)CC(C)C.
What is the InChIKey of N-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine?
The InChIKey is YZVVIHFCOIKFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49N3/c1-19(2)15-24(16-20(3)4)13-9-11-23-12-10-14-25(17-21(5)6)18-22(7)8/h19-23H,9-18H2,1-8H3.
What are the key properties of N-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine?
N-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine has a molecular weight of 355.66 g/mol, XLogP of 4.58, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 18364435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).