1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine

C13H27NO — CID 107411988

IUPAC1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine
SMILESCOCC(NCC1CCC(C)C1)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)13(9-15-4)14-8-12-6-5-11(3)7-12/h10-14H,5-9H2,1-4H3
InChIKeyBHCSSUUZGQVHJM-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.68
Rot. Bonds6

About 1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine

1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine (PubChem CID 107411988) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine
PubChem CID107411988
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine
SMILESCOCC(NCC1CCC(C)C1)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)13(9-15-4)14-8-12-6-5-11(3)7-12/h10-14H,5-9H2,1-4H3
InChIKeyBHCSSUUZGQVHJM-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine (CID 107411988) is 1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine is COCC(NCC1CCC(C)C1)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine?
The InChIKey is BHCSSUUZGQVHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)13(9-15-4)14-8-12-6-5-11(3)7-12/h10-14H,5-9H2,1-4H3.
What are the key properties of 1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine?
1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine is sourced from PubChem (CID 107411988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).