N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C13H22N6 — CID 104979275

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESC1CNC(CN(Cc2nnnn2C2CC2)C2CC2)C1
InChIInChI=1S/C13H22N6/c1-2-10(14-7-1)8-18(11-3-4-11)9-13-15-16-17-19(13)12-5-6-12/h10-12,14H,1-9H2
InChIKeyPMILAWMDKNHHLO-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.72
Rot. Bonds6

About N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 104979275) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID104979275
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESC1CNC(CN(Cc2nnnn2C2CC2)C2CC2)C1
InChIInChI=1S/C13H22N6/c1-2-10(14-7-1)8-18(11-3-4-11)9-13-15-16-17-19(13)12-5-6-12/h10-12,14H,1-9H2
InChIKeyPMILAWMDKNHHLO-UHFFFAOYSA-N
XLogP0.72
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973927
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine
CID 66187611
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599991
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 128964578
N-(isoquinolin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973999
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973966
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine;hydrochloride
CID 128964519
N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
CID 102819455
N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599857
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599047

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 104979275) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is C1CNC(CN(Cc2nnnn2C2CC2)C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is PMILAWMDKNHHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-2-10(14-7-1)8-18(11-3-4-11)9-13-15-16-17-19(13)12-5-6-12/h10-12,14H,1-9H2.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 262.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 104979275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).