2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine

C12H27N3 — CID 67683848

IUPAC2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine
SMILESCC1CCCN(C(N)C(C)CCCN)C1
InChIInChI=1S/C12H27N3/c1-10-5-4-8-15(9-10)12(14)11(2)6-3-7-13/h10-12H,3-9,13-14H2,1-2H3
InChIKeyBJDWOHRBUJFECD-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.38
Rot. Bonds5

About 2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine

2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine (PubChem CID 67683848) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine
PubChem CID67683848
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine
SMILESCC1CCCN(C(N)C(C)CCCN)C1
InChIInChI=1S/C12H27N3/c1-10-5-4-8-15(9-10)12(14)11(2)6-3-7-13/h10-12H,3-9,13-14H2,1-2H3
InChIKeyBJDWOHRBUJFECD-UHFFFAOYSA-N
XLogP1.38
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine?
The IUPAC name of 2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine (CID 67683848) is 2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine?
The canonical SMILES for 2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine is CC1CCCN(C(N)C(C)CCCN)C1.
What is the InChIKey of 2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine?
The InChIKey is BJDWOHRBUJFECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-10-5-4-8-15(9-10)12(14)11(2)6-3-7-13/h10-12H,3-9,13-14H2,1-2H3.
What are the key properties of 2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine?
2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylpiperidin-1-yl)pentane-1,5-diamine is sourced from PubChem (CID 67683848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).