1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine

C13H28N6 — CID 107050039

IUPAC1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)Cc1nnn(C)n1
InChIInChI=1S/C13H28N6/c1-5-9-14-12(8-10-19(6-2)7-3)11-13-15-17-18(4)16-13/h12,14H,5-11H2,1-4H3
InChIKeyUZGIWYVOVCGKFZ-UHFFFAOYSA-N
MW268.41 g/mol
LogP0.85
Rot. Bonds10

About 1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine

1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine (PubChem CID 107050039) has the molecular formula C13H28N6 and a molecular weight of 268.41 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine
PubChem CID107050039
Molecular FormulaC13H28N6
Molecular Weight268.41 g/mol
Exact Mass268.24
IUPAC Name1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)Cc1nnn(C)n1
InChIInChI=1S/C13H28N6/c1-5-9-14-12(8-10-19(6-2)7-3)11-13-15-17-18(4)16-13/h12,14H,5-11H2,1-4H3
InChIKeyUZGIWYVOVCGKFZ-UHFFFAOYSA-N
XLogP0.85
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine (CID 107050039) is 1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine is CCCNC(CCN(CC)CC)Cc1nnn(C)n1.
What is the InChIKey of 1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine?
The InChIKey is UZGIWYVOVCGKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N6/c1-5-9-14-12(8-10-19(6-2)7-3)11-13-15-17-18(4)16-13/h12,14H,5-11H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine?
1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine has a molecular weight of 268.41 g/mol, XLogP of 0.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-(2-methyltetrazol-5-yl)-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 107050039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).