N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine

C11H22N6 — CID 63300305

IUPACN-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCCCn1nnnc1CN(CC)C1CCNC1
InChIInChI=1S/C11H22N6/c1-3-7-17-11(13-14-15-17)9-16(4-2)10-5-6-12-8-10/h10,12H,3-9H2,1-2H3
InChIKeyMKPQKIVDGSHONT-UHFFFAOYSA-N
MW238.34 g/mol
LogP0.27
Rot. Bonds6

About N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine

N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 63300305) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID63300305
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC NameN-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCCCn1nnnc1CN(CC)C1CCNC1
InChIInChI=1S/C11H22N6/c1-3-7-17-11(13-14-15-17)9-16(4-2)10-5-6-12-8-10/h10,12H,3-9H2,1-2H3
InChIKeyMKPQKIVDGSHONT-UHFFFAOYSA-N
XLogP0.27
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine (CID 63300305) is N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine is CCCn1nnnc1CN(CC)C1CCNC1.
What is the InChIKey of N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is MKPQKIVDGSHONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-3-7-17-11(13-14-15-17)9-16(4-2)10-5-6-12-8-10/h10,12H,3-9H2,1-2H3.
What are the key properties of N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine?
N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 238.34 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 63300305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).