N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine

C12H26N2 — CID 80998376

IUPACN-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine
SMILESCCCCCN(C)C1CCC1CNC
InChIInChI=1S/C12H26N2/c1-4-5-6-9-14(3)12-8-7-11(12)10-13-2/h11-13H,4-10H2,1-3H3
InChIKeyROFHJOHUHFDZMU-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds7

About N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine

N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine (PubChem CID 80998376) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine
PubChem CID80998376
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine
SMILESCCCCCN(C)C1CCC1CNC
InChIInChI=1S/C12H26N2/c1-4-5-6-9-14(3)12-8-7-11(12)10-13-2/h11-13H,4-10H2,1-3H3
InChIKeyROFHJOHUHFDZMU-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
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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Related Compounds

N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)cyclobutan-1-amine
CID 81005332
N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine
CID 80998399
N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 81004867
2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine
CID 43294515
N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80998660
N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
CID 112665966
N-methyl-N-pentylcyclobutanamine
CID 142562644
N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80996129
N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 80998479
N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen
CID 169213903
N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine
CID 80997690
N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80997727

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine?
The IUPAC name of N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine (CID 80998376) is N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine.
What is the SMILES notation for N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine?
The canonical SMILES for N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine is CCCCCN(C)C1CCC1CNC.
What is the InChIKey of N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine?
The InChIKey is ROFHJOHUHFDZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-5-6-9-14(3)12-8-7-11(12)10-13-2/h11-13H,4-10H2,1-3H3.
What are the key properties of N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine?
N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine is sourced from PubChem (CID 80998376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).