N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine

C12H23N5 — CID 103086242

IUPACN-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C(C)CC1CC1
InChIInChI=1S/C12H23N5/c1-4-7-13-10(3)12-14-15-16-17(12)9(2)8-11-5-6-11/h9-11,13H,4-8H2,1-3H3
InChIKeyQDAITCDGUZKWLU-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.09
Rot. Bonds7

About N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine

N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103086242) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103086242
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C(C)CC1CC1
InChIInChI=1S/C12H23N5/c1-4-7-13-10(3)12-14-15-16-17(12)9(2)8-11-5-6-11/h9-11,13H,4-8H2,1-3H3
InChIKeyQDAITCDGUZKWLU-UHFFFAOYSA-N
XLogP2.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(1-cyclopropylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085495
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085944
N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086942
N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085850
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085941
N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085388
N-methyl-1-(1-pentan-2-yltetrazol-5-yl)ethanamine
CID 103085322
N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
CID 103085937
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086723
1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085593
N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085558

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103086242) is N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1C(C)CC1CC1.
What is the InChIKey of N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is QDAITCDGUZKWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-4-7-13-10(3)12-14-15-16-17(12)9(2)8-11-5-6-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103086242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).