N,N-diethyl-3-methylcyclobutan-1-amine

C9H19N — CID 123585979

IUPACN,N-diethyl-3-methylcyclobutan-1-amine
SMILESCCN(CC)C1CC(C)C1
InChIInChI=1S/C9H19N/c1-4-10(5-2)9-6-8(3)7-9/h8-9H,4-7H2,1-3H3
InChIKeyHQPPKFIVFSBYLF-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds3

About N,N-diethyl-3-methylcyclobutan-1-amine

N,N-diethyl-3-methylcyclobutan-1-amine (PubChem CID 123585979) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,N-diethyl-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-methylcyclobutan-1-amine
PubChem CID123585979
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,N-diethyl-3-methylcyclobutan-1-amine
SMILESCCN(CC)C1CC(C)C1
InChIInChI=1S/C9H19N/c1-4-10(5-2)9-6-8(3)7-9/h8-9H,4-7H2,1-3H3
InChIKeyHQPPKFIVFSBYLF-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methylcyclobutan-1-amine?
The IUPAC name of N,N-diethyl-3-methylcyclobutan-1-amine (CID 123585979) is N,N-diethyl-3-methylcyclobutan-1-amine.
What is the SMILES notation for N,N-diethyl-3-methylcyclobutan-1-amine?
The canonical SMILES for N,N-diethyl-3-methylcyclobutan-1-amine is CCN(CC)C1CC(C)C1.
What is the InChIKey of N,N-diethyl-3-methylcyclobutan-1-amine?
The InChIKey is HQPPKFIVFSBYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-10(5-2)9-6-8(3)7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of N,N-diethyl-3-methylcyclobutan-1-amine?
N,N-diethyl-3-methylcyclobutan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methylcyclobutan-1-amine is sourced from PubChem (CID 123585979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).