N-(3-methylbutan-2-yl)-N-propylcyclobutanamine

C12H25N — CID 166157968

IUPACN-(3-methylbutan-2-yl)-N-propylcyclobutanamine
SMILESCCCN(C1CCC1)C(C)C(C)C
InChIInChI=1S/C12H25N/c1-5-9-13(11(4)10(2)3)12-7-6-8-12/h10-12H,5-9H2,1-4H3
InChIKeyWKTURAWYWZVRSW-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds5

About N-(3-methylbutan-2-yl)-N-propylcyclobutanamine

N-(3-methylbutan-2-yl)-N-propylcyclobutanamine (PubChem CID 166157968) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-N-propylcyclobutanamine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-N-propylcyclobutanamine
PubChem CID166157968
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(3-methylbutan-2-yl)-N-propylcyclobutanamine
SMILESCCCN(C1CCC1)C(C)C(C)C
InChIInChI=1S/C12H25N/c1-5-9-13(11(4)10(2)3)12-7-6-8-12/h10-12H,5-9H2,1-4H3
InChIKeyWKTURAWYWZVRSW-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-N-propylcyclobutanamine?
The IUPAC name of N-(3-methylbutan-2-yl)-N-propylcyclobutanamine (CID 166157968) is N-(3-methylbutan-2-yl)-N-propylcyclobutanamine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-N-propylcyclobutanamine?
The canonical SMILES for N-(3-methylbutan-2-yl)-N-propylcyclobutanamine is CCCN(C1CCC1)C(C)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)-N-propylcyclobutanamine?
The InChIKey is WKTURAWYWZVRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-9-13(11(4)10(2)3)12-7-6-8-12/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(3-methylbutan-2-yl)-N-propylcyclobutanamine?
N-(3-methylbutan-2-yl)-N-propylcyclobutanamine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-N-propylcyclobutanamine is sourced from PubChem (CID 166157968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).