N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine

C13H26N6 — CID 60807659

IUPACN-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine
SMILESCCCCn1nnnc1CN(CC)C1CCNCC1
InChIInChI=1S/C13H26N6/c1-3-5-10-19-13(15-16-17-19)11-18(4-2)12-6-8-14-9-7-12/h12,14H,3-11H2,1-2H3
InChIKeyJUCQWOSFZKLOAH-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.05
Rot. Bonds7

About N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine

N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine (PubChem CID 60807659) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine
PubChem CID60807659
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC NameN-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine
SMILESCCCCn1nnnc1CN(CC)C1CCNCC1
InChIInChI=1S/C13H26N6/c1-3-5-10-19-13(15-16-17-19)11-18(4-2)12-6-8-14-9-7-12/h12,14H,3-11H2,1-2H3
InChIKeyJUCQWOSFZKLOAH-UHFFFAOYSA-N
XLogP1.05
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine?
The IUPAC name of N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine (CID 60807659) is N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine.
What is the SMILES notation for N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine?
The canonical SMILES for N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine is CCCCn1nnnc1CN(CC)C1CCNCC1.
What is the InChIKey of N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine?
The InChIKey is JUCQWOSFZKLOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-3-5-10-19-13(15-16-17-19)11-18(4-2)12-6-8-14-9-7-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine?
N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine has a molecular weight of 266.39 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine is sourced from PubChem (CID 60807659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).