N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine

C12H24N6 — CID 63152591

IUPACN'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
SMILESCn1nnnc1N(CCCN)C1CCCCCC1
InChIInChI=1S/C12H24N6/c1-17-12(14-15-16-17)18(10-6-9-13)11-7-4-2-3-5-8-11/h11H,2-10,13H2,1H3
InChIKeyYXWOCIDBNOGYDY-UHFFFAOYSA-N
MW252.37 g/mol
LogP1.09
Rot. Bonds5

About N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine

N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine (PubChem CID 63152591) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
PubChem CID63152591
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC NameN'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
SMILESCn1nnnc1N(CCCN)C1CCCCCC1
InChIInChI=1S/C12H24N6/c1-17-12(14-15-16-17)18(10-6-9-13)11-7-4-2-3-5-8-11/h11H,2-10,13H2,1H3
InChIKeyYXWOCIDBNOGYDY-UHFFFAOYSA-N
XLogP1.09
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine (CID 63152591) is N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine is Cn1nnnc1N(CCCN)C1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The InChIKey is YXWOCIDBNOGYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-17-12(14-15-16-17)18(10-6-9-13)11-7-4-2-3-5-8-11/h11H,2-10,13H2,1H3.
What are the key properties of N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine has a molecular weight of 252.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 63152591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).