1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine

C12H24N2 — CID 164652854

IUPAC1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine
SMILESCC1CC(CN(C)C2CCCC2N)C1
InChIInChI=1S/C12H24N2/c1-9-6-10(7-9)8-14(2)12-5-3-4-11(12)13/h9-12H,3-8,13H2,1-2H3
InChIKeyYTARHYFLIMSBDQ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.84
Rot. Bonds3

About 1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine

1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine (PubChem CID 164652854) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine
PubChem CID164652854
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine
SMILESCC1CC(CN(C)C2CCCC2N)C1
InChIInChI=1S/C12H24N2/c1-9-6-10(7-9)8-14(2)12-5-3-4-11(12)13/h9-12H,3-8,13H2,1-2H3
InChIKeyYTARHYFLIMSBDQ-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine (CID 164652854) is 1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine is CC1CC(CN(C)C2CCCC2N)C1.
What is the InChIKey of 1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine?
The InChIKey is YTARHYFLIMSBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9-6-10(7-9)8-14(2)12-5-3-4-11(12)13/h9-12H,3-8,13H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine?
1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine is sourced from PubChem (CID 164652854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).