5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine

C13H28N2O — CID 107417216

IUPAC5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCC1CCCC1C
InChIInChI=1S/C13H28N2O/c1-11-5-3-6-12(11)9-15-13(10-16-2)7-4-8-14/h11-13,15H,3-10,14H2,1-2H3
InChIKeySXXDTJXAJIEUQK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.77
Rot. Bonds8

About 5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine

5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine (PubChem CID 107417216) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine
PubChem CID107417216
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCC1CCCC1C
InChIInChI=1S/C13H28N2O/c1-11-5-3-6-12(11)9-15-13(10-16-2)7-4-8-14/h11-13,15H,3-10,14H2,1-2H3
InChIKeySXXDTJXAJIEUQK-UHFFFAOYSA-N
XLogP1.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine (CID 107417216) is 5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine is COCC(CCCN)NCC1CCCC1C.
What is the InChIKey of 5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine?
The InChIKey is SXXDTJXAJIEUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11-5-3-6-12(11)9-15-13(10-16-2)7-4-8-14/h11-13,15H,3-10,14H2,1-2H3.
What are the key properties of 5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine?
5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 107417216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).