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

C13H23N5 — CID 103085944

IUPACN-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C(C1CC1)C1CC1
InChIInChI=1S/C13H23N5/c1-3-8-14-9(2)13-15-16-17-18(13)12(10-4-5-10)11-6-7-11/h9-12,14H,3-8H2,1-2H3
InChIKeyQUFVUSWIGCKLMQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.09
Rot. Bonds7

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

N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103085944) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103085944
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C(C1CC1)C1CC1
InChIInChI=1S/C13H23N5/c1-3-8-14-9(2)13-15-16-17-18(13)12(10-4-5-10)11-6-7-11/h9-12,14H,3-8H2,1-2H3
InChIKeyQUFVUSWIGCKLMQ-UHFFFAOYSA-N
XLogP2.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[1-(1-cyclopropylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085495
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085941
N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086242
N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085388
N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086942
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085850
N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085558
N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086723
N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086859
N-[1-[1-(3-methylsulfanylcyclopentyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 114122719
N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086194

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103085944) is N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1C(C1CC1)C1CC1.
What is the InChIKey of N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is QUFVUSWIGCKLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-8-14-9(2)13-15-16-17-18(13)12(10-4-5-10)11-6-7-11/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 249.36 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-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103085944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).