N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

C14H27N5O — CID 107051110

IUPACN-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)C1(OCC)CCCC1
InChIInChI=1S/C14H27N5O/c1-4-10-15-12(11-13-16-18-19(3)17-13)14(20-5-2)8-6-7-9-14/h12,15H,4-11H2,1-3H3
InChIKeyHJJKGNVNOFNGNE-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.47
Rot. Bonds8

About N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (PubChem CID 107051110) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
PubChem CID107051110
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)C1(OCC)CCCC1
InChIInChI=1S/C14H27N5O/c1-4-10-15-12(11-13-16-18-19(3)17-13)14(20-5-2)8-6-7-9-14/h12,15H,4-11H2,1-3H3
InChIKeyHJJKGNVNOFNGNE-UHFFFAOYSA-N
XLogP1.47
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (CID 107051110) is N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1nnn(C)n1)C1(OCC)CCCC1.
What is the InChIKey of N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is HJJKGNVNOFNGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-4-10-15-12(11-13-16-18-19(3)17-13)14(20-5-2)8-6-7-9-14/h12,15H,4-11H2,1-3H3.
What are the key properties of N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107051110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).