N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine

C14H30N2 — CID 81005048

IUPACN-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
SMILESCCCNCC1CCC1N(C)C(C)(C)CC
InChIInChI=1S/C14H30N2/c1-6-10-15-11-12-8-9-13(12)16(5)14(3,4)7-2/h12-13,15H,6-11H2,1-5H3
InChIKeyWTNUCHBUZWZNCB-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds7

About N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine

N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine (PubChem CID 81005048) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
PubChem CID81005048
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
SMILESCCCNCC1CCC1N(C)C(C)(C)CC
InChIInChI=1S/C14H30N2/c1-6-10-15-11-12-8-9-13(12)16(5)14(3,4)7-2/h12-13,15H,6-11H2,1-5H3
InChIKeyWTNUCHBUZWZNCB-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine (CID 81005048) is N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine is CCCNCC1CCC1N(C)C(C)(C)CC.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine?
The InChIKey is WTNUCHBUZWZNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-10-15-11-12-8-9-13(12)16(5)14(3,4)7-2/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine?
N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine is sourced from PubChem (CID 81005048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).