N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine

C11H21N5 — CID 103086859

IUPACN-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C1CC(C)C1
InChIInChI=1S/C11H21N5/c1-4-5-12-9(3)11-13-14-15-16(11)10-6-8(2)7-10/h8-10,12H,4-7H2,1-3H3
InChIKeyXBWQTFBQONSJBM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.70
Rot. Bonds5

About N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine

N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103086859) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103086859
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C1CC(C)C1
InChIInChI=1S/C11H21N5/c1-4-5-12-9(3)11-13-14-15-16(11)10-6-8(2)7-10/h8-10,12H,4-7H2,1-3H3
InChIKeyXBWQTFBQONSJBM-UHFFFAOYSA-N
XLogP1.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethanamine
CID 103086857
N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085850
N-[1-[1-(3-methylsulfanylcyclopentyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 114122719
N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086723
N-ethyl-1-[1-(oxan-4-yl)tetrazol-5-yl]ethanamine
CID 103085524
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085944
N-[1-[1-(1-cyclopropylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085495
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine
CID 103087012
N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086242
2-methyl-N-[1-[1-(1-oxothian-4-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086907
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103086859) is N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1C1CC(C)C1.
What is the InChIKey of N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is XBWQTFBQONSJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-4-5-12-9(3)11-13-14-15-16(11)10-6-8(2)7-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103086859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).