N,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene

C15H37N — CID 157461238

IUPACN,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene
SMILESC=C(C)C.CC(C)C.CC(C)C.CN(C)C
InChIInChI=1S/2C4H10.C4H8.C3H9N/c4*1-4(2)3/h2*4H,1-3H3;1H2,2-3H3;1-3H3
InChIKeyBTYGOPDYKWXLEW-UHFFFAOYSA-N
MW231.47 g/mol
LogP5.08
Rot. Bonds

About N,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene

N,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene (PubChem CID 157461238) has the molecular formula C15H37N and a molecular weight of 231.47 g/mol. Its IUPAC name is N,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene.

Molecular Properties

Compound NameN,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene
PubChem CID157461238
Molecular FormulaC15H37N
Molecular Weight231.47 g/mol
Exact Mass231.29
IUPAC NameN,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene
SMILESC=C(C)C.CC(C)C.CC(C)C.CN(C)C
InChIInChI=1S/2C4H10.C4H8.C3H9N/c4*1-4(2)3/h2*4H,1-3H3;1H2,2-3H3;1-3H3
InChIKeyBTYGOPDYKWXLEW-UHFFFAOYSA-N
XLogP5.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene?
The IUPAC name of N,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene (CID 157461238) is N,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene.
What is the SMILES notation for N,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene?
The canonical SMILES for N,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene is C=C(C)C.CC(C)C.CC(C)C.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene?
The InChIKey is BTYGOPDYKWXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.C4H8.C3H9N/c4*1-4(2)3/h2*4H,1-3H3;1H2,2-3H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene?
N,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene has a molecular weight of 231.47 g/mol, XLogP of 5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;bis(2-methylpropane);2-methylprop-1-ene is sourced from PubChem (CID 157461238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).