N,N-dimethylmethanamine;hex-1-ene

C9H21N — CID 172827126

IUPACN,N-dimethylmethanamine;hex-1-ene
SMILESC=CCCCC.CN(C)C
InChIInChI=1S/C6H12.C3H9N/c1-3-5-6-4-2;1-4(2)3/h3H,1,4-6H2,2H3;1-3H3
InChIKeyVAHQUAPFYRWBHE-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.54
Rot. Bonds3

About N,N-dimethylmethanamine;hex-1-ene

N,N-dimethylmethanamine;hex-1-ene (PubChem CID 172827126) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N,N-dimethylmethanamine;hex-1-ene.

Molecular Properties

Compound NameN,N-dimethylmethanamine;hex-1-ene
PubChem CID172827126
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN,N-dimethylmethanamine;hex-1-ene
SMILESC=CCCCC.CN(C)C
InChIInChI=1S/C6H12.C3H9N/c1-3-5-6-4-2;1-4(2)3/h3H,1,4-6H2,2H3;1-3H3
InChIKeyVAHQUAPFYRWBHE-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;hex-1-ene?
The IUPAC name of N,N-dimethylmethanamine;hex-1-ene (CID 172827126) is N,N-dimethylmethanamine;hex-1-ene.
What is the SMILES notation for N,N-dimethylmethanamine;hex-1-ene?
The canonical SMILES for N,N-dimethylmethanamine;hex-1-ene is C=CCCCC.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;hex-1-ene?
The InChIKey is VAHQUAPFYRWBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C3H9N/c1-3-5-6-4-2;1-4(2)3/h3H,1,4-6H2,2H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;hex-1-ene?
N,N-dimethylmethanamine;hex-1-ene has a molecular weight of 143.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;hex-1-ene is sourced from PubChem (CID 172827126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).