1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine

C18H42N4 — CID 122628336

IUPAC1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine
SMILESCC(C)N(C)CCC(CN(C)C(C)C)C(N)CN(C)C(C)C
InChIInChI=1S/C18H42N4/c1-14(2)20(7)11-10-17(12-21(8)15(3)4)18(19)13-22(9)16(5)6/h14-18H,10-13,19H2,1-9H3
InChIKeyLVLIZPBEHMDUDA-UHFFFAOYSA-N
MW314.56 g/mol
LogP2.34
Rot. Bonds11

About 1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine

1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine (PubChem CID 122628336) has the molecular formula C18H42N4 and a molecular weight of 314.56 g/mol. Its IUPAC name is 1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine.

Molecular Properties

Compound Name1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine
PubChem CID122628336
Molecular FormulaC18H42N4
Molecular Weight314.56 g/mol
Exact Mass314.34
IUPAC Name1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine
SMILESCC(C)N(C)CCC(CN(C)C(C)C)C(N)CN(C)C(C)C
InChIInChI=1S/C18H42N4/c1-14(2)20(7)11-10-17(12-21(8)15(3)4)18(19)13-22(9)16(5)6/h14-18H,10-13,19H2,1-9H3
InChIKeyLVLIZPBEHMDUDA-UHFFFAOYSA-N
XLogP2.34
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine?
The IUPAC name of 1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine (CID 122628336) is 1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine.
What is the SMILES notation for 1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine?
The canonical SMILES for 1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine is CC(C)N(C)CCC(CN(C)C(C)C)C(N)CN(C)C(C)C.
What is the InChIKey of 1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine?
The InChIKey is LVLIZPBEHMDUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4/c1-14(2)20(7)11-10-17(12-21(8)15(3)4)18(19)13-22(9)16(5)6/h14-18H,10-13,19H2,1-9H3.
What are the key properties of 1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine?
1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine has a molecular weight of 314.56 g/mol, XLogP of 2.34, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-dimethyl-3-[[methyl(propan-2-yl)amino]methyl]-1-N,5-N-di(propan-2-yl)pentane-1,2,5-triamine is sourced from PubChem (CID 122628336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).