N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane

C30H69N2+ — CID 160841949

IUPACN,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane
SMILESCC(C)C(C)(C(C)C)C(C)C.CC(C)N(C(C)C)C(C)C.CC(C)[N+](C)(C(C)C)C(C)C
InChIInChI=1S/C11H24.C10H24N.C9H21N/c2*1-8(2)11(7,9(3)4)10(5)6;1-7(2)10(8(3)4)9(5)6/h2*8-10H,1-7H3;7-9H,1-6H3/q;+1;
InChIKeySIDNLNWEZRLKOW-UHFFFAOYSA-N
MW457.90 g/mol
LogP9.13
Rot. Bonds9

About N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane

N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane (PubChem CID 160841949) has the molecular formula C30H69N2+ and a molecular weight of 457.90 g/mol. Its IUPAC name is N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane.

Molecular Properties

Compound NameN,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane
PubChem CID160841949
Molecular FormulaC30H69N2+
Molecular Weight457.90 g/mol
Exact Mass457.55
IUPAC NameN,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane
SMILESCC(C)C(C)(C(C)C)C(C)C.CC(C)N(C(C)C)C(C)C.CC(C)[N+](C)(C(C)C)C(C)C
InChIInChI=1S/C11H24.C10H24N.C9H21N/c2*1-8(2)11(7,9(3)4)10(5)6;1-7(2)10(8(3)4)9(5)6/h2*8-10H,1-7H3;7-9H,1-6H3/q;+1;
InChIKeySIDNLNWEZRLKOW-UHFFFAOYSA-N
XLogP9.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.90
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane?
The IUPAC name of N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane (CID 160841949) is N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane.
What is the SMILES notation for N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane?
The canonical SMILES for N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane is CC(C)C(C)(C(C)C)C(C)C.CC(C)N(C(C)C)C(C)C.CC(C)[N+](C)(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane?
The InChIKey is SIDNLNWEZRLKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C10H24N.C9H21N/c2*1-8(2)11(7,9(3)4)10(5)6;1-7(2)10(8(3)4)9(5)6/h2*8-10H,1-7H3;7-9H,1-6H3/q;+1;.
What are the key properties of N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane?
N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane has a molecular weight of 457.90 g/mol, XLogP of 9.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane is sourced from PubChem (CID 160841949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).