N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine

C11H23N — CID 90365875

IUPACN-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1CC(C)(C)C1
InChIInChI=1S/C11H23N/c1-9(2)12(5)8-10-6-11(3,4)7-10/h9-10H,6-8H2,1-5H3
InChIKeyKKSMOKDLZDEPMP-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds3

About N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine

N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine (PubChem CID 90365875) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine
PubChem CID90365875
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1CC(C)(C)C1
InChIInChI=1S/C11H23N/c1-9(2)12(5)8-10-6-11(3,4)7-10/h9-10H,6-8H2,1-5H3
InChIKeyKKSMOKDLZDEPMP-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine (CID 90365875) is N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine is CC(C)N(C)CC1CC(C)(C)C1.
What is the InChIKey of N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine?
The InChIKey is KKSMOKDLZDEPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)12(5)8-10-6-11(3,4)7-10/h9-10H,6-8H2,1-5H3.
What are the key properties of N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine?
N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 90365875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).