1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine

C34H76N6 — CID 157480421

IUPAC1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(CN(CC(C(C)C)N(C)C)CC(N(CC(C(C)C)N(C)C)CC(C(C)C)N(C)C)C(C)(C)C)N(C)C
InChIInChI=1S/C34H76N6/c1-25(2)29(35(12)13)20-39(21-30(26(3)4)36(14)15)24-33(34(9,10)11)40(22-31(27(5)6)37(16)17)23-32(28(7)8)38(18)19/h25-33H,20-24H2,1-19H3
InChIKeyCWLNAGBWASKHAL-UHFFFAOYSA-N
MW569.02 g/mol
LogP5.35
Rot. Bonds19

About 1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine

1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine (PubChem CID 157480421) has the molecular formula C34H76N6 and a molecular weight of 569.02 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine
PubChem CID157480421
Molecular FormulaC34H76N6
Molecular Weight569.02 g/mol
Exact Mass568.61
IUPAC Name1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(CN(CC(C(C)C)N(C)C)CC(N(CC(C(C)C)N(C)C)CC(C(C)C)N(C)C)C(C)(C)C)N(C)C
InChIInChI=1S/C34H76N6/c1-25(2)29(35(12)13)20-39(21-30(26(3)4)36(14)15)24-33(34(9,10)11)40(22-31(27(5)6)37(16)17)23-32(28(7)8)38(18)19/h25-33H,20-24H2,1-19H3
InChIKeyCWLNAGBWASKHAL-UHFFFAOYSA-N
XLogP5.35
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.02
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine (CID 157480421) is 1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine is CC(C)C(CN(CC(C(C)C)N(C)C)CC(N(CC(C(C)C)N(C)C)CC(C(C)C)N(C)C)C(C)(C)C)N(C)C.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine?
The InChIKey is CWLNAGBWASKHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H76N6/c1-25(2)29(35(12)13)20-39(21-30(26(3)4)36(14)15)24-33(34(9,10)11)40(22-31(27(5)6)37(16)17)23-32(28(7)8)38(18)19/h25-33H,20-24H2,1-19H3.
What are the key properties of 1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine?
1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine has a molecular weight of 569.02 g/mol, XLogP of 5.35, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 157480421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).