1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine

C13H26N2O — CID 106821887

IUPAC1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine
SMILESCCCN(CC1CC1)C1(CN)CC(OC)C1
InChIInChI=1S/C13H26N2O/c1-3-6-15(9-11-4-5-11)13(10-14)7-12(8-13)16-2/h11-12H,3-10,14H2,1-2H3
InChIKeyMCFUWNCPJLCPIA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds7

About 1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine

1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine (PubChem CID 106821887) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine
PubChem CID106821887
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine
SMILESCCCN(CC1CC1)C1(CN)CC(OC)C1
InChIInChI=1S/C13H26N2O/c1-3-6-15(9-11-4-5-11)13(10-14)7-12(8-13)16-2/h11-12H,3-10,14H2,1-2H3
InChIKeyMCFUWNCPJLCPIA-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine (CID 106821887) is 1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine is CCCN(CC1CC1)C1(CN)CC(OC)C1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine?
The InChIKey is MCFUWNCPJLCPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-6-15(9-11-4-5-11)13(10-14)7-12(8-13)16-2/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine?
1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 106821887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).